RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0204199
RefMet name	Pipamperone
Systematic name	1'-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-[1,4']bipiperidinyl-4'-carboxylic acid amide
Synonyms	PubChem Synonyms
Exact mass	375.232205 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C21H30FN3O2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	144632 (Download molfile/View MW Metabolite Database details)
InChI
InChIKey	AXKPFOAXAHJUAG-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C1CCN(CC1)C1(CCN(CCCC(=O)c2ccc(cc2)F)CC1)C(=O)N Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Alkaloids
Main Class	Lysine alkaloids
Sub Class	Quinolizidine alkaloids
Distribution of Pipamperone in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Pipamperone
External Links
Pubchem CID	4830
ChEBI ID	78549
HMDB ID	HMDB0256570
ChEMBL DB	CHEMBL440294
Spectral data for Pipamperone standards
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)