(3S)-1-(3-chlorobenzoyl)-N-(2-phenylethyl)piperidine-3-carboxamide

C21H23ClN2O2 — CID 94082169

IUPAC(3S)-1-(3-chlorobenzoyl)-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C21H23ClN2O2/c22-19-10-4-8-17(14-19)21(26)24-13-5-9-18(15-24)20(25)23-12-11-16-6-2-1-3-7-16/h1-4,6-8,10,14,18H,5,9,11-13,15H2,(H,23,25)/t18-/m0/s1
InChIKeyMOEWEZCHAFGSRF-SFHVURJKSA-N
MW370.88 g/mol
LogP3.55
Rot. Bonds5

About (3S)-1-(3-chlorobenzoyl)-N-(2-phenylethyl)piperidine-3-carboxamide

(3S)-1-(3-chlorobenzoyl)-N-(2-phenylethyl)piperidine-3-carboxamide (PubChem CID 94082169) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is (3S)-1-(3-chlorobenzoyl)-N-(2-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(3-chlorobenzoyl)-N-(2-phenylethyl)piperidine-3-carboxamide
PubChem CID94082169
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name(3S)-1-(3-chlorobenzoyl)-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C21H23ClN2O2/c22-19-10-4-8-17(14-19)21(26)24-13-5-9-18(15-24)20(25)23-12-11-16-6-2-1-3-7-16/h1-4,6-8,10,14,18H,5,9,11-13,15H2,(H,23,25)/t18-/m0/s1
InChIKeyMOEWEZCHAFGSRF-SFHVURJKSA-N
XLogP3.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide
CID 55631090
1-[3-[(4-chlorobenzoyl)amino]benzoyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 50829376
(3R)-1-[3-[(2-chlorobenzoyl)amino]benzoyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 92729380
1-(3-chlorobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17394642
(3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorobenzoyl)piperidine-3-carboxamide
CID 93060233
azepan-1-yl-[1-(3-chlorobenzoyl)piperidin-3-yl]methanone
CID 662429
(3S)-1-(3-benzamidobenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 92729519
N-[2-(4-aminophenyl)ethyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 119548062
(3S)-1-(2-chlorobenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 94082332
(3R)-1-(3,5-dimethylbenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 94010780
1-(2,2-dimethylpropanoyl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 47984523
(3S)-1-N-cyclohexyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 7435336

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-chlorobenzoyl)-N-(2-phenylethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(3-chlorobenzoyl)-N-(2-phenylethyl)piperidine-3-carboxamide (CID 94082169) is (3S)-1-(3-chlorobenzoyl)-N-(2-phenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(3-chlorobenzoyl)-N-(2-phenylethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(3-chlorobenzoyl)-N-(2-phenylethyl)piperidine-3-carboxamide is O=C(NCCc1ccccc1)[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1.
What is the InChIKey of (3S)-1-(3-chlorobenzoyl)-N-(2-phenylethyl)piperidine-3-carboxamide?
The InChIKey is MOEWEZCHAFGSRF-SFHVURJKSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c22-19-10-4-8-17(14-19)21(26)24-13-5-9-18(15-24)20(25)23-12-11-16-6-2-1-3-7-16/h1-4,6-8,10,14,18H,5,9,11-13,15H2,(H,23,25)/t18-/m0/s1.
What are the key properties of (3S)-1-(3-chlorobenzoyl)-N-(2-phenylethyl)piperidine-3-carboxamide?
(3S)-1-(3-chlorobenzoyl)-N-(2-phenylethyl)piperidine-3-carboxamide has a molecular weight of 370.88 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-chlorobenzoyl)-N-(2-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 94082169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).