(3S)-N-butyl-1-[3-[(4-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide

C24H28ClN3O3 — CID 92733913

IUPAC(3S)-N-butyl-1-[3-[(4-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide
SMILESCCCCNC(=O)[C@H]1CCCN(C(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1
InChIInChI=1S/C24H28ClN3O3/c1-2-3-13-26-22(29)19-7-5-14-28(16-19)24(31)18-6-4-8-21(15-18)27-23(30)17-9-11-20(25)12-10-17/h4,6,8-12,15,19H,2-3,5,7,13-14,16H2,1H3,(H,26,29)(H,27,30)/t19-/m0/s1
InChIKeyCJFSHFUPURPXSZ-IBGZPJMESA-N
MW441.96 g/mol
LogP4.36
Rot. Bonds7

About (3S)-N-butyl-1-[3-[(4-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide

(3S)-N-butyl-1-[3-[(4-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide (PubChem CID 92733913) has the molecular formula C24H28ClN3O3 and a molecular weight of 441.96 g/mol. Its IUPAC name is (3S)-N-butyl-1-[3-[(4-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-butyl-1-[3-[(4-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide
PubChem CID92733913
Molecular FormulaC24H28ClN3O3
Molecular Weight441.96 g/mol
Exact Mass441.18
IUPAC Name(3S)-N-butyl-1-[3-[(4-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide
SMILESCCCCNC(=O)[C@H]1CCCN(C(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1
InChIInChI=1S/C24H28ClN3O3/c1-2-3-13-26-22(29)19-7-5-14-28(16-19)24(31)18-6-4-8-21(15-18)27-23(30)17-9-11-20(25)12-10-17/h4,6,8-12,15,19H,2-3,5,7,13-14,16H2,1H3,(H,26,29)(H,27,30)/t19-/m0/s1
InChIKeyCJFSHFUPURPXSZ-IBGZPJMESA-N
XLogP4.36
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.96
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[(4-chlorobenzoyl)amino]benzoyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 50829376
(3S)-1-(3-benzamidobenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 92729519
(3R)-N-butyl-1-[4-[(2-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide
CID 92729025
(3S)-1-[4-[(4-chlorobenzoyl)amino]benzoyl]-N-(3-methylbutyl)piperidine-3-carboxamide
CID 92728882
1-(3-acetamidobenzoyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 71681887
5-[(3R)-3-(butylcarbamoyl)piperidine-1-carbonyl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 92890851
N-benzyl-1-[3-[(4-methylbenzoyl)amino]benzoyl]piperidine-3-carboxamide
CID 50829419
(3R)-1-[3-[(2-chlorobenzoyl)amino]benzoyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 92729380
N-(3-methoxypropyl)-1-[3-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 50829294
(3S)-1-(3-acetamidobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 92729485
1-(3-benzamidobenzoyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 46387250
1-[3-[(4-chlorobenzoyl)amino]benzoyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide
CID 46387307

Frequently Asked Questions

What is the IUPAC name of (3S)-N-butyl-1-[3-[(4-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-butyl-1-[3-[(4-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide (CID 92733913) is (3S)-N-butyl-1-[3-[(4-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-butyl-1-[3-[(4-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-butyl-1-[3-[(4-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide is CCCCNC(=O)[C@H]1CCCN(C(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1.
What is the InChIKey of (3S)-N-butyl-1-[3-[(4-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide?
The InChIKey is CJFSHFUPURPXSZ-IBGZPJMESA-N. The full InChI is InChI=1S/C24H28ClN3O3/c1-2-3-13-26-22(29)19-7-5-14-28(16-19)24(31)18-6-4-8-21(15-18)27-23(30)17-9-11-20(25)12-10-17/h4,6,8-12,15,19H,2-3,5,7,13-14,16H2,1H3,(H,26,29)(H,27,30)/t19-/m0/s1.
What are the key properties of (3S)-N-butyl-1-[3-[(4-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide?
(3S)-N-butyl-1-[3-[(4-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide has a molecular weight of 441.96 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-butyl-1-[3-[(4-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide is sourced from PubChem (CID 92733913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).