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

C27H32ClN3O3 — CID 46387307

IUPAC1-[3-[(4-chlorobenzoyl)amino]benzoyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCC(C(=O)NCC3CCCCC3)CC2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C27H32ClN3O3/c28-23-11-9-20(10-12-23)26(33)30-24-8-4-7-22(17-24)27(34)31-15-13-21(14-16-31)25(32)29-18-19-5-2-1-3-6-19/h4,7-12,17,19,21H,1-3,5-6,13-16,18H2,(H,29,32)(H,30,33)
InChIKeyFNXQSHNVKXDTRV-UHFFFAOYSA-N
MW482.02 g/mol
LogP5.14
Rot. Bonds6

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

1-[3-[(4-chlorobenzoyl)amino]benzoyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide (PubChem CID 46387307) has the molecular formula C27H32ClN3O3 and a molecular weight of 482.02 g/mol. Its IUPAC name is 1-[3-[(4-chlorobenzoyl)amino]benzoyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[(4-chlorobenzoyl)amino]benzoyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide
PubChem CID46387307
Molecular FormulaC27H32ClN3O3
Molecular Weight482.02 g/mol
Exact Mass481.21
IUPAC Name1-[3-[(4-chlorobenzoyl)amino]benzoyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCC(C(=O)NCC3CCCCC3)CC2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C27H32ClN3O3/c28-23-11-9-20(10-12-23)26(33)30-24-8-4-7-22(17-24)27(34)31-15-13-21(14-16-31)25(32)29-18-19-5-2-1-3-6-19/h4,7-12,17,19,21H,1-3,5-6,13-16,18H2,(H,29,32)(H,30,33)
InChIKeyFNXQSHNVKXDTRV-UHFFFAOYSA-N
XLogP5.14
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.02
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-benzamidobenzoyl)-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 46387291
(3S)-N-butyl-1-[3-[(4-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide
CID 92733913
1-[3-[(4-chlorobenzoyl)amino]benzoyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 50829376
1-[3-[(4-methylbenzoyl)amino]benzoyl]-N-prop-2-enylpiperidine-4-carboxamide
CID 46387263
N-[3-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]phenyl]cyclohexanecarboxamide
CID 55955366
N-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-4-carboxamide
CID 20972987
methyl 1-(3-benzamidobenzoyl)piperidine-4-carboxylate
CID 3585170
1-(3-chlorobenzoyl)-N-(4-chlorophenyl)piperidine-4-carboxamide
CID 113007193
4-chloro-N-[[3-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 26161998
[2-(cyclohexylmethylamino)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 8635167
N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 31611202
(3S)-N-(cyclohexylmethyl)-1-[3-(methanesulfonamido)benzoyl]piperidine-3-carboxamide
CID 92729695

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-chlorobenzoyl)amino]benzoyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-[(4-chlorobenzoyl)amino]benzoyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide (CID 46387307) is 1-[3-[(4-chlorobenzoyl)amino]benzoyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[(4-chlorobenzoyl)amino]benzoyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[(4-chlorobenzoyl)amino]benzoyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide is O=C(Nc1cccc(C(=O)N2CCC(C(=O)NCC3CCCCC3)CC2)c1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[3-[(4-chlorobenzoyl)amino]benzoyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide?
The InChIKey is FNXQSHNVKXDTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClN3O3/c28-23-11-9-20(10-12-23)26(33)30-24-8-4-7-22(17-24)27(34)31-15-13-21(14-16-31)25(32)29-18-19-5-2-1-3-6-19/h4,7-12,17,19,21H,1-3,5-6,13-16,18H2,(H,29,32)(H,30,33).
What are the key properties of 1-[3-[(4-chlorobenzoyl)amino]benzoyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide?
1-[3-[(4-chlorobenzoyl)amino]benzoyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide has a molecular weight of 482.02 g/mol, XLogP of 5.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-chlorobenzoyl)amino]benzoyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 46387307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).