N-(2-amino-2-phenylethyl)-1-benzoylpiperidine-3-carboxamide

C21H25N3O2 — CID 119529448

IUPACN-(2-amino-2-phenylethyl)-1-benzoylpiperidine-3-carboxamide
SMILESNC(CNC(=O)C1CCCN(C(=O)c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C21H25N3O2/c22-19(16-8-3-1-4-9-16)14-23-20(25)18-12-7-13-24(15-18)21(26)17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15,22H2,(H,23,25)
InChIKeyKGCOEGFMIBDEKY-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.36
Rot. Bonds5

About N-(2-amino-2-phenylethyl)-1-benzoylpiperidine-3-carboxamide

N-(2-amino-2-phenylethyl)-1-benzoylpiperidine-3-carboxamide (PubChem CID 119529448) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-1-benzoylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-1-benzoylpiperidine-3-carboxamide
PubChem CID119529448
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-(2-amino-2-phenylethyl)-1-benzoylpiperidine-3-carboxamide
SMILESNC(CNC(=O)C1CCCN(C(=O)c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C21H25N3O2/c22-19(16-8-3-1-4-9-16)14-23-20(25)18-12-7-13-24(15-18)21(26)17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15,22H2,(H,23,25)
InChIKeyKGCOEGFMIBDEKY-UHFFFAOYSA-N
XLogP2.36
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-phenylethyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119528013
N-(2-amino-2-phenylethyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119527413
N-(2-amino-2-phenylethyl)-1-benzoylpyrrolidine-2-carboxamide;hydrochloride
CID 119529228
1-benzoyl-N-[(1-hydroxycyclopentyl)methyl]piperidine-3-carboxamide
CID 111333032
1-benzoyl-N-[2-(cycloheptylamino)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119621206
1-benzoyl-N-octylpiperidine-3-carboxamide
CID 70028584
3-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119526290
(2S)-2-[(1-benzoylpiperidine-3-carbonyl)amino]propanoic acid
CID 119238223
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053338
N-benzhydryl-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 3410633
2-[(1-benzoylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119165825
N-[(2S)-2-amino-2-phenylethyl]-3-methylcyclohexane-1-carboxamide
CID 129071865

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-1-benzoylpiperidine-3-carboxamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-1-benzoylpiperidine-3-carboxamide (CID 119529448) is N-(2-amino-2-phenylethyl)-1-benzoylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-1-benzoylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-1-benzoylpiperidine-3-carboxamide is NC(CNC(=O)C1CCCN(C(=O)c2ccccc2)C1)c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-1-benzoylpiperidine-3-carboxamide?
The InChIKey is KGCOEGFMIBDEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c22-19(16-8-3-1-4-9-16)14-23-20(25)18-12-7-13-24(15-18)21(26)17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15,22H2,(H,23,25).
What are the key properties of N-(2-amino-2-phenylethyl)-1-benzoylpiperidine-3-carboxamide?
N-(2-amino-2-phenylethyl)-1-benzoylpiperidine-3-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-1-benzoylpiperidine-3-carboxamide is sourced from PubChem (CID 119529448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).