1-acetyl-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-4-phenylpiperidine-4-carboxamide

C27H32ClN3O3 — CID 52707459

IUPAC1-acetyl-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-4-phenylpiperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)(c2ccccc2)CC1
InChIInChI=1S/C27H32ClN3O3/c1-19(32)31-16-14-27(15-17-31,20-8-4-2-5-9-20)26(34)30-22-12-13-24(28)23(18-22)25(33)29-21-10-6-3-7-11-21/h2,4-5,8-9,12-13,18,21H,3,6-7,10-11,14-17H2,1H3,(H,29,33)(H,30,34)
InChIKeyAXURXAGENAIXDQ-UHFFFAOYSA-N
MW482.02 g/mol
LogP4.92
Rot. Bonds5

About 1-acetyl-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-4-phenylpiperidine-4-carboxamide

1-acetyl-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-4-phenylpiperidine-4-carboxamide (PubChem CID 52707459) has the molecular formula C27H32ClN3O3 and a molecular weight of 482.02 g/mol. Its IUPAC name is 1-acetyl-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-4-phenylpiperidine-4-carboxamide
PubChem CID52707459
Molecular FormulaC27H32ClN3O3
Molecular Weight482.02 g/mol
Exact Mass481.21
IUPAC Name1-acetyl-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-4-phenylpiperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)(c2ccccc2)CC1
InChIInChI=1S/C27H32ClN3O3/c1-19(32)31-16-14-27(15-17-31,20-8-4-2-5-9-20)26(34)30-22-12-13-24(28)23(18-22)25(33)29-21-10-6-3-7-11-21/h2,4-5,8-9,12-13,18,21H,3,6-7,10-11,14-17H2,1H3,(H,29,33)(H,30,34)
InChIKeyAXURXAGENAIXDQ-UHFFFAOYSA-N
XLogP4.92
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.02
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-cyclohexyl-5-[(1-phenylcyclobutanecarbonyl)amino]benzamide
CID 52707482
2-chloro-N-cyclohexyl-5-(phenylcarbamoylamino)benzamide
CID 17188425
1-acetyl-N-(2,3-dihydro-1H-inden-5-yl)-4-phenylpiperidine-4-carboxamide
CID 9141961
2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide
CID 50875940
2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide
CID 17188470
N-(3-chloro-4-methylphenyl)-1-phenylcyclobutane-1-carboxamide
CID 110438526
2-chloro-N-cyclohexyl-5-[(2-piperidin-1-ylacetyl)amino]benzamide
CID 54815159
2-chloro-N-cyclohexyl-5-[[2-(4-phenylphenoxy)acetyl]amino]benzamide
CID 17188486
2-chloro-N-cyclohexyl-5-[4-(methylamino)butanoylamino]benzamide
CID 119743114
2-chloro-N-cyclohexyl-5-(4-phenylbutanoylamino)benzamide
CID 60540414
1-acetyl-4-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 39888148
2-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975390

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-4-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-4-phenylpiperidine-4-carboxamide (CID 52707459) is 1-acetyl-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-4-phenylpiperidine-4-carboxamide is CC(=O)N1CCC(C(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)(c2ccccc2)CC1.
What is the InChIKey of 1-acetyl-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-4-phenylpiperidine-4-carboxamide?
The InChIKey is AXURXAGENAIXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClN3O3/c1-19(32)31-16-14-27(15-17-31,20-8-4-2-5-9-20)26(34)30-22-12-13-24(28)23(18-22)25(33)29-21-10-6-3-7-11-21/h2,4-5,8-9,12-13,18,21H,3,6-7,10-11,14-17H2,1H3,(H,29,33)(H,30,34).
What are the key properties of 1-acetyl-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-4-phenylpiperidine-4-carboxamide?
1-acetyl-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-4-phenylpiperidine-4-carboxamide has a molecular weight of 482.02 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 52707459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).