1-[4-[(2-chlorobenzoyl)amino]benzoyl]-N-cycloheptylpiperidine-3-carboxamide

C27H32ClN3O3 — CID 46384471

IUPAC1-[4-[(2-chlorobenzoyl)amino]benzoyl]-N-cycloheptylpiperidine-3-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCCC(C(=O)NC3CCCCCC3)C2)cc1)c1ccccc1Cl
InChIInChI=1S/C27H32ClN3O3/c28-24-12-6-5-11-23(24)26(33)30-22-15-13-19(14-16-22)27(34)31-17-7-8-20(18-31)25(32)29-21-9-3-1-2-4-10-21/h5-6,11-16,20-21H,1-4,7-10,17-18H2,(H,29,32)(H,30,33)
InChIKeyGJQKNNVMCURPJZ-UHFFFAOYSA-N
MW482.02 g/mol
LogP5.28
Rot. Bonds5

About 1-[4-[(2-chlorobenzoyl)amino]benzoyl]-N-cycloheptylpiperidine-3-carboxamide

1-[4-[(2-chlorobenzoyl)amino]benzoyl]-N-cycloheptylpiperidine-3-carboxamide (PubChem CID 46384471) has the molecular formula C27H32ClN3O3 and a molecular weight of 482.02 g/mol. Its IUPAC name is 1-[4-[(2-chlorobenzoyl)amino]benzoyl]-N-cycloheptylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[(2-chlorobenzoyl)amino]benzoyl]-N-cycloheptylpiperidine-3-carboxamide
PubChem CID46384471
Molecular FormulaC27H32ClN3O3
Molecular Weight482.02 g/mol
Exact Mass481.21
IUPAC Name1-[4-[(2-chlorobenzoyl)amino]benzoyl]-N-cycloheptylpiperidine-3-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCCC(C(=O)NC3CCCCCC3)C2)cc1)c1ccccc1Cl
InChIInChI=1S/C27H32ClN3O3/c28-24-12-6-5-11-23(24)26(33)30-22-15-13-19(14-16-22)27(34)31-17-7-8-20(18-31)25(32)29-21-9-3-1-2-4-10-21/h5-6,11-16,20-21H,1-4,7-10,17-18H2,(H,29,32)(H,30,33)
InChIKeyGJQKNNVMCURPJZ-UHFFFAOYSA-N
XLogP5.28
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.02
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-butyl-1-[4-[(2-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide
CID 92729025
(3R)-N-cycloheptyl-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 92728911
(3R)-N-cyclopentyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 25392682
1-[4-[(2-chlorobenzoyl)amino]benzoyl]-N-(3-methoxypropyl)piperidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 146062803
N-(4-chlorophenyl)-5-[3-(cyclopentylcarbamoyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 50788250
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 16613398
5-[(3S)-3-(cyclopentylcarbamoyl)piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92890650
5-[3-(cycloheptylcarbamoyl)piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46330746
1-(4-chlorobenzoyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 42943350
(3S)-3-N-cyclopentyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 95116250
1-benzoyl-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide
CID 69258968
4-[(1-benzoylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229696

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-chlorobenzoyl)amino]benzoyl]-N-cycloheptylpiperidine-3-carboxamide?
The IUPAC name of 1-[4-[(2-chlorobenzoyl)amino]benzoyl]-N-cycloheptylpiperidine-3-carboxamide (CID 46384471) is 1-[4-[(2-chlorobenzoyl)amino]benzoyl]-N-cycloheptylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[4-[(2-chlorobenzoyl)amino]benzoyl]-N-cycloheptylpiperidine-3-carboxamide?
The canonical SMILES for 1-[4-[(2-chlorobenzoyl)amino]benzoyl]-N-cycloheptylpiperidine-3-carboxamide is O=C(Nc1ccc(C(=O)N2CCCC(C(=O)NC3CCCCCC3)C2)cc1)c1ccccc1Cl.
What is the InChIKey of 1-[4-[(2-chlorobenzoyl)amino]benzoyl]-N-cycloheptylpiperidine-3-carboxamide?
The InChIKey is GJQKNNVMCURPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClN3O3/c28-24-12-6-5-11-23(24)26(33)30-22-15-13-19(14-16-22)27(34)31-17-7-8-20(18-31)25(32)29-21-9-3-1-2-4-10-21/h5-6,11-16,20-21H,1-4,7-10,17-18H2,(H,29,32)(H,30,33).
What are the key properties of 1-[4-[(2-chlorobenzoyl)amino]benzoyl]-N-cycloheptylpiperidine-3-carboxamide?
1-[4-[(2-chlorobenzoyl)amino]benzoyl]-N-cycloheptylpiperidine-3-carboxamide has a molecular weight of 482.02 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-chlorobenzoyl)amino]benzoyl]-N-cycloheptylpiperidine-3-carboxamide is sourced from PubChem (CID 46384471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).