N-(4-chlorophenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide

C30H33ClN2O — CID 91353172

IUPACN-(4-chlorophenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
SMILESO=C(c1ccccc1)N(c1ccc(Cl)cc1)C1CCN(C2CCCCC2c2ccccc2)CC1
InChIInChI=1S/C30H33ClN2O/c31-25-15-17-26(18-16-25)33(30(34)24-11-5-2-6-12-24)27-19-21-32(22-20-27)29-14-8-7-13-28(29)23-9-3-1-4-10-23/h1-6,9-12,15-18,27-29H,7-8,13-14,19-22H2
InChIKeyXYYUTJQLYHOVQE-UHFFFAOYSA-N
MW473.06 g/mol
LogP7.18
Rot. Bonds5

About N-(4-chlorophenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide

N-(4-chlorophenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide (PubChem CID 91353172) has the molecular formula C30H33ClN2O and a molecular weight of 473.06 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
PubChem CID91353172
Molecular FormulaC30H33ClN2O
Molecular Weight473.06 g/mol
Exact Mass472.23
IUPAC NameN-(4-chlorophenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
SMILESO=C(c1ccccc1)N(c1ccc(Cl)cc1)C1CCN(C2CCCCC2c2ccccc2)CC1
InChIInChI=1S/C30H33ClN2O/c31-25-15-17-26(18-16-25)33(30(34)24-11-5-2-6-12-24)27-19-21-32(22-20-27)29-14-8-7-13-28(29)23-9-3-1-4-10-23/h1-6,9-12,15-18,27-29H,7-8,13-14,19-22H2
InChIKeyXYYUTJQLYHOVQE-UHFFFAOYSA-N
XLogP7.18
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.06
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzamide
CID 91480833
3,4-dichloro-N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91312760
N-(3,5-dimethylphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91468186
3-methoxy-N-(4-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91137183
3,4-dichloro-N-(4-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91128636
N-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 91233195
2-methyl-N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91172689
3-methoxy-N-(3-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91125540
N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]-3H-dioxole-5-carboxamide
CID 87949376
N-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
CID 90736407
5-chloro-N-[3-(dimethylamino)phenyl]-1-methyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 91391061
N-cyclohexyl-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 90892127

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide?
The IUPAC name of N-(4-chlorophenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide (CID 91353172) is N-(4-chlorophenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide?
The canonical SMILES for N-(4-chlorophenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide is O=C(c1ccccc1)N(c1ccc(Cl)cc1)C1CCN(C2CCCCC2c2ccccc2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide?
The InChIKey is XYYUTJQLYHOVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33ClN2O/c31-25-15-17-26(18-16-25)33(30(34)24-11-5-2-6-12-24)27-19-21-32(22-20-27)29-14-8-7-13-28(29)23-9-3-1-4-10-23/h1-6,9-12,15-18,27-29H,7-8,13-14,19-22H2.
What are the key properties of N-(4-chlorophenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide?
N-(4-chlorophenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide has a molecular weight of 473.06 g/mol, XLogP of 7.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 91353172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).