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

C22H25ClN2O2 — CID 94082332

IUPAC(3S)-1-(2-chlorobenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
SMILESO=C(NCCCc1ccccc1)[C@H]1CCCN(C(=O)c2ccccc2Cl)C1
InChIInChI=1S/C22H25ClN2O2/c23-20-13-5-4-12-19(20)22(27)25-15-7-11-18(16-25)21(26)24-14-6-10-17-8-2-1-3-9-17/h1-5,8-9,12-13,18H,6-7,10-11,14-16H2,(H,24,26)/t18-/m0/s1
InChIKeyIGSTZQXIWXDHLF-SFHVURJKSA-N
MW384.91 g/mol
LogP3.94
Rot. Bonds6

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

(3S)-1-(2-chlorobenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide (PubChem CID 94082332) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is (3S)-1-(2-chlorobenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-chlorobenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
PubChem CID94082332
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC Name(3S)-1-(2-chlorobenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
SMILESO=C(NCCCc1ccccc1)[C@H]1CCCN(C(=O)c2ccccc2Cl)C1
InChIInChI=1S/C22H25ClN2O2/c23-20-13-5-4-12-19(20)22(27)25-15-7-11-18(16-25)21(26)24-14-6-10-17-8-2-1-3-9-17/h1-5,8-9,12-13,18H,6-7,10-11,14-16H2,(H,24,26)/t18-/m0/s1
InChIKeyIGSTZQXIWXDHLF-SFHVURJKSA-N
XLogP3.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3S)-1-(2-chlorobenzoyl)-N-(3-phenylpropyl)piperidine-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-(naphthalene-1-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 55430075
(3R)-1-(3,5-dimethylbenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 94010780
(3S)-1-(2-chlorobenzoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 94082313
1-(2-chlorobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 50804467
(3S)-1-(3-benzamidobenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 92729519
(3R)-1-[3-[(2-chlorobenzoyl)amino]benzoyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 92729380
(3R)-1-(2-chlorobenzoyl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94082374
(3S)-1-(3-chlorobenzoyl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 94082169
(3S)-1-(2-naphthalen-1-ylacetyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 94082667
1-(3-chloro-2-methylphenyl)sulfonyl-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 58702041
N-(2-aminoethyl)-1-(2-benzylbenzoyl)piperidine-3-carboxamide
CID 119480881
(3S)-1-N,1-N-diethyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 51941062

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-chlorobenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-chlorobenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide (CID 94082332) is (3S)-1-(2-chlorobenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-chlorobenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-chlorobenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide is O=C(NCCCc1ccccc1)[C@H]1CCCN(C(=O)c2ccccc2Cl)C1.
What is the InChIKey of (3S)-1-(2-chlorobenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide?
The InChIKey is IGSTZQXIWXDHLF-SFHVURJKSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c23-20-13-5-4-12-19(20)22(27)25-15-7-11-18(16-25)21(26)24-14-6-10-17-8-2-1-3-9-17/h1-5,8-9,12-13,18H,6-7,10-11,14-16H2,(H,24,26)/t18-/m0/s1.
What are the key properties of (3S)-1-(2-chlorobenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide?
(3S)-1-(2-chlorobenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide has a molecular weight of 384.91 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-chlorobenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 94082332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).