1-(2-chlorobenzoyl)-N-[2-(cyclohexylcarbamoyl)phenyl]piperidine-4-carboxamide

C26H30ClN3O3 — CID 17223536

IUPAC1-(2-chlorobenzoyl)-N-[2-(cyclohexylcarbamoyl)phenyl]piperidine-4-carboxamide
SMILESO=C(NC1CCCCC1)c1ccccc1NC(=O)C1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C26H30ClN3O3/c27-22-12-6-4-10-20(22)26(33)30-16-14-18(15-17-30)24(31)29-23-13-7-5-11-21(23)25(32)28-19-8-2-1-3-9-19/h4-7,10-13,18-19H,1-3,8-9,14-17H2,(H,28,32)(H,29,31)
InChIKeyVRYDVJUUOSYYDZ-UHFFFAOYSA-N
MW468.00 g/mol
LogP4.89
Rot. Bonds5

About 1-(2-chlorobenzoyl)-N-[2-(cyclohexylcarbamoyl)phenyl]piperidine-4-carboxamide

1-(2-chlorobenzoyl)-N-[2-(cyclohexylcarbamoyl)phenyl]piperidine-4-carboxamide (PubChem CID 17223536) has the molecular formula C26H30ClN3O3 and a molecular weight of 468.00 g/mol. Its IUPAC name is 1-(2-chlorobenzoyl)-N-[2-(cyclohexylcarbamoyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-chlorobenzoyl)-N-[2-(cyclohexylcarbamoyl)phenyl]piperidine-4-carboxamide
PubChem CID17223536
Molecular FormulaC26H30ClN3O3
Molecular Weight468.00 g/mol
Exact Mass467.20
IUPAC Name1-(2-chlorobenzoyl)-N-[2-(cyclohexylcarbamoyl)phenyl]piperidine-4-carboxamide
SMILESO=C(NC1CCCCC1)c1ccccc1NC(=O)C1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C26H30ClN3O3/c27-22-12-6-4-10-20(22)26(33)30-16-14-18(15-17-30)24(31)29-23-13-7-5-11-21(23)25(32)28-19-8-2-1-3-9-19/h4-7,10-13,18-19H,1-3,8-9,14-17H2,(H,28,32)(H,29,31)
InChIKeyVRYDVJUUOSYYDZ-UHFFFAOYSA-N
XLogP4.89
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.00
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorobenzoyl)-N-cyclohexylpiperidine-4-carboxamide
CID 1072829
1-(2-chlorobenzoyl)-N-cyclopentylpiperidine-4-carboxamide
CID 1072799
N-[2-(cyclohexylcarbamoyl)phenyl]-1-methylpiperidine-4-carboxamide
CID 99970623
N-(2-bromophenyl)-1-(2-chlorobenzoyl)piperidine-4-carboxamide
CID 1326323
1-(2-chlorobenzoyl)-N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-4-carboxamide
CID 17223510
N-[2-(4-methylpiperidine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 4939416
N-[2-(azepane-1-carbonyl)phenyl]-1-methylpiperidine-4-carboxamide
CID 99970642
1-methyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 99817673
2-chloro-N-cyclopentylbenzamide
CID 669043
2,5-dichloro-N-[1-(2-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108554581
N-[2-(4-methylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 4943642
N-cycloheptyl-1-(2-fluorobenzoyl)piperidine-4-carboxamide
CID 17019024

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorobenzoyl)-N-[2-(cyclohexylcarbamoyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-chlorobenzoyl)-N-[2-(cyclohexylcarbamoyl)phenyl]piperidine-4-carboxamide (CID 17223536) is 1-(2-chlorobenzoyl)-N-[2-(cyclohexylcarbamoyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-chlorobenzoyl)-N-[2-(cyclohexylcarbamoyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-chlorobenzoyl)-N-[2-(cyclohexylcarbamoyl)phenyl]piperidine-4-carboxamide is O=C(NC1CCCCC1)c1ccccc1NC(=O)C1CCN(C(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 1-(2-chlorobenzoyl)-N-[2-(cyclohexylcarbamoyl)phenyl]piperidine-4-carboxamide?
The InChIKey is VRYDVJUUOSYYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN3O3/c27-22-12-6-4-10-20(22)26(33)30-16-14-18(15-17-30)24(31)29-23-13-7-5-11-21(23)25(32)28-19-8-2-1-3-9-19/h4-7,10-13,18-19H,1-3,8-9,14-17H2,(H,28,32)(H,29,31).
What are the key properties of 1-(2-chlorobenzoyl)-N-[2-(cyclohexylcarbamoyl)phenyl]piperidine-4-carboxamide?
1-(2-chlorobenzoyl)-N-[2-(cyclohexylcarbamoyl)phenyl]piperidine-4-carboxamide has a molecular weight of 468.00 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorobenzoyl)-N-[2-(cyclohexylcarbamoyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 17223536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).