(3R,5S)-1-benzoyl-N-ethyl-5-phenylpiperidine-3-carboxamide

C21H24N2O2 — CID 92994765

IUPAC(3R,5S)-1-benzoyl-N-ethyl-5-phenylpiperidine-3-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@@H](c2ccccc2)CN(C(=O)c2ccccc2)C1
InChIInChI=1S/C21H24N2O2/c1-2-22-20(24)19-13-18(16-9-5-3-6-10-16)14-23(15-19)21(25)17-11-7-4-8-12-17/h3-12,18-19H,2,13-15H2,1H3,(H,22,24)/t18-,19-/m1/s1
InChIKeyZRMGTENWLYMNBS-RTBURBONSA-N
MW336.44 g/mol
LogP3.07
Rot. Bonds4

About (3R,5S)-1-benzoyl-N-ethyl-5-phenylpiperidine-3-carboxamide

(3R,5S)-1-benzoyl-N-ethyl-5-phenylpiperidine-3-carboxamide (PubChem CID 92994765) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (3R,5S)-1-benzoyl-N-ethyl-5-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5S)-1-benzoyl-N-ethyl-5-phenylpiperidine-3-carboxamide
PubChem CID92994765
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name(3R,5S)-1-benzoyl-N-ethyl-5-phenylpiperidine-3-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@@H](c2ccccc2)CN(C(=O)c2ccccc2)C1
InChIInChI=1S/C21H24N2O2/c1-2-22-20(24)19-13-18(16-9-5-3-6-10-16)14-23(15-19)21(25)17-11-7-4-8-12-17/h3-12,18-19H,2,13-15H2,1H3,(H,22,24)/t18-,19-/m1/s1
InChIKeyZRMGTENWLYMNBS-RTBURBONSA-N
XLogP3.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R,5S)-1-benzoyl-N-ethyl-5-phenylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzoyl-N-ethyl-5-phenylpiperidine-3-carboxamide
CID 46065014
1-N,3-N-diethyl-5-phenylpiperidine-1,3-dicarboxamide
CID 42865414
1-(4-fluorobenzoyl)-N-(2-methoxyethyl)-5-phenylpiperidine-3-carboxamide
CID 46064987
(3S,5R)-1-(4-methoxybenzoyl)-5-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide
CID 92994736
3-N-cyclopropyl-1-N-ethyl-5-phenylpiperidine-1,3-dicarboxamide
CID 42865415
(3S,5R)-N-[(2R)-butan-2-yl]-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide
CID 92994677
(3R,5S)-1-(3,4-dimethoxybenzoyl)-N-(2-methoxyethyl)-5-phenylpiperidine-3-carboxamide
CID 92994853
(3R,5S)-N-cyclopropyl-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide
CID 92994693
1-N-ethyl-5-phenyl-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide
CID 42865475
N-butan-2-yl-1-(furan-3-carbonyl)-5-phenylpiperidine-3-carboxamide
CID 46071052
(3S,5R)-N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)-5-phenylpiperidine-3-carboxamide
CID 92999981
(3S,5R)-N-benzyl-1-(2-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide
CID 92994800

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-benzoyl-N-ethyl-5-phenylpiperidine-3-carboxamide?
The IUPAC name of (3R,5S)-1-benzoyl-N-ethyl-5-phenylpiperidine-3-carboxamide (CID 92994765) is (3R,5S)-1-benzoyl-N-ethyl-5-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (3R,5S)-1-benzoyl-N-ethyl-5-phenylpiperidine-3-carboxamide?
The canonical SMILES for (3R,5S)-1-benzoyl-N-ethyl-5-phenylpiperidine-3-carboxamide is CCNC(=O)[C@@H]1C[C@@H](c2ccccc2)CN(C(=O)c2ccccc2)C1.
What is the InChIKey of (3R,5S)-1-benzoyl-N-ethyl-5-phenylpiperidine-3-carboxamide?
The InChIKey is ZRMGTENWLYMNBS-RTBURBONSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-2-22-20(24)19-13-18(16-9-5-3-6-10-16)14-23(15-19)21(25)17-11-7-4-8-12-17/h3-12,18-19H,2,13-15H2,1H3,(H,22,24)/t18-,19-/m1/s1.
What are the key properties of (3R,5S)-1-benzoyl-N-ethyl-5-phenylpiperidine-3-carboxamide?
(3R,5S)-1-benzoyl-N-ethyl-5-phenylpiperidine-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-benzoyl-N-ethyl-5-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 92994765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).