N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-4-phenylbenzamide

C27H34N2O2 — CID 108549480

IUPACN-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-4-phenylbenzamide
SMILESO=C(NC1CCN(C(=O)CCC2CCCCC2)CC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H34N2O2/c30-26(16-11-21-7-3-1-4-8-21)29-19-17-25(18-20-29)28-27(31)24-14-12-23(13-15-24)22-9-5-2-6-10-22/h2,5-6,9-10,12-15,21,25H,1,3-4,7-8,11,16-20H2,(H,28,31)
InChIKeyJBUTZLYDEVWUKV-UHFFFAOYSA-N
MW418.58 g/mol
LogP5.43
Rot. Bonds6

About N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-4-phenylbenzamide

N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-4-phenylbenzamide (PubChem CID 108549480) has the molecular formula C27H34N2O2 and a molecular weight of 418.58 g/mol. Its IUPAC name is N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-4-phenylbenzamide
PubChem CID108549480
Molecular FormulaC27H34N2O2
Molecular Weight418.58 g/mol
Exact Mass418.26
IUPAC NameN-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-4-phenylbenzamide
SMILESO=C(NC1CCN(C(=O)CCC2CCCCC2)CC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H34N2O2/c30-26(16-11-21-7-3-1-4-8-21)29-19-17-25(18-20-29)28-27(31)24-14-12-23(13-15-24)22-9-5-2-6-10-22/h2,5-6,9-10,12-15,21,25H,1,3-4,7-8,11,16-20H2,(H,28,31)
InChIKeyJBUTZLYDEVWUKV-UHFFFAOYSA-N
XLogP5.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.58
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexyl-1-[4-(4-phenylbenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 108544297
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554734
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methoxybenzamide
CID 108549239
N-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide
CID 108549483
N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-4-phenylbenzamide
CID 52898200
N-[1-(2-cyclohexylethyl)piperidin-4-yl]benzamide
CID 21413269
N-[1-(4-cyclohexylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47076419
N-[4-(4-benzamidopiperidin-1-yl)-4-oxobutyl]benzamide
CID 34423868
N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-4-phenylbenzamide
CID 52820081
N-(1-cyclopropylpiperidin-4-yl)-4-phenylbenzamide
CID 26131227
N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]benzamide
CID 108555965
4-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108549132

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-4-phenylbenzamide?
The IUPAC name of N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-4-phenylbenzamide (CID 108549480) is N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-4-phenylbenzamide.
What is the SMILES notation for N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-4-phenylbenzamide?
The canonical SMILES for N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-4-phenylbenzamide is O=C(NC1CCN(C(=O)CCC2CCCCC2)CC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-4-phenylbenzamide?
The InChIKey is JBUTZLYDEVWUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O2/c30-26(16-11-21-7-3-1-4-8-21)29-19-17-25(18-20-29)28-27(31)24-14-12-23(13-15-24)22-9-5-2-6-10-22/h2,5-6,9-10,12-15,21,25H,1,3-4,7-8,11,16-20H2,(H,28,31).
What are the key properties of N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-4-phenylbenzamide?
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-4-phenylbenzamide has a molecular weight of 418.58 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-4-phenylbenzamide is sourced from PubChem (CID 108549480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).