N-[1-[2-(4-benzoylphenyl)propyl]piperidin-2-yl]cyclohexanecarboxamide

C28H36N2O2 — CID 70524385

IUPACN-[1-[2-(4-benzoylphenyl)propyl]piperidin-2-yl]cyclohexanecarboxamide
SMILESCC(CN1CCCCC1NC(=O)C1CCCCC1)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C28H36N2O2/c1-21(22-15-17-24(18-16-22)27(31)23-10-4-2-5-11-23)20-30-19-9-8-14-26(30)29-28(32)25-12-6-3-7-13-25/h2,4-5,10-11,15-18,21,25-26H,3,6-9,12-14,19-20H2,1H3,(H,29,32)
InChIKeyJXGGPQLLQWLACF-UHFFFAOYSA-N
MW432.61 g/mol
LogP5.53
Rot. Bonds7

About N-[1-[2-(4-benzoylphenyl)propyl]piperidin-2-yl]cyclohexanecarboxamide

N-[1-[2-(4-benzoylphenyl)propyl]piperidin-2-yl]cyclohexanecarboxamide (PubChem CID 70524385) has the molecular formula C28H36N2O2 and a molecular weight of 432.61 g/mol. Its IUPAC name is N-[1-[2-(4-benzoylphenyl)propyl]piperidin-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-[2-(4-benzoylphenyl)propyl]piperidin-2-yl]cyclohexanecarboxamide
PubChem CID70524385
Molecular FormulaC28H36N2O2
Molecular Weight432.61 g/mol
Exact Mass432.28
IUPAC NameN-[1-[2-(4-benzoylphenyl)propyl]piperidin-2-yl]cyclohexanecarboxamide
SMILESCC(CN1CCCCC1NC(=O)C1CCCCC1)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C28H36N2O2/c1-21(22-15-17-24(18-16-22)27(31)23-10-4-2-5-11-23)20-30-19-9-8-14-26(30)29-28(32)25-12-6-3-7-13-25/h2,4-5,10-11,15-18,21,25-26H,3,6-9,12-14,19-20H2,1H3,(H,29,32)
InChIKeyJXGGPQLLQWLACF-UHFFFAOYSA-N
XLogP5.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.61
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[1-(2-cyclohexylpiperidin-1-yl)propan-2-yl]phenyl]-phenylmethanone
CID 13409085
[4-[1-(4-aminopiperidin-1-yl)propan-2-yl]phenyl]-phenylmethanone
CID 12802930
3-[1-(2-phenylpropyl)piperidin-2-yl]propanoic acid
CID 65062535
N-cycloheptyl-1-[(2R)-2-phenylpropyl]piperidin-1-ium-4-carboxamide
CID 7299939
2-[1-(2-phenylpropyl)pyrrolidin-2-yl]acetic acid
CID 65067815
3-amino-N-[[1-(2-phenylpropyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120910963
[3-[1-[2-(cyclohexylmethyl)piperidin-1-yl]propan-2-yl]phenyl]-(3-methylphenyl)methanone
CID 13409089
N'-(cyclohexanecarbonyl)-4-propan-2-ylbenzohydrazide
CID 17177548
N-(1-benzoylpiperidin-4-yl)cyclopentanecarboxamide
CID 110820191
(3R)-1-[(2S)-2-phenylpropyl]pyrrolidine-3-carboxylic acid
CID 129413679
[1-[(2R)-2-phenylpropyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 883905
1-(3-phenylbutyl)piperidine-2-carboxylic acid
CID 65054037

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-benzoylphenyl)propyl]piperidin-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-[2-(4-benzoylphenyl)propyl]piperidin-2-yl]cyclohexanecarboxamide (CID 70524385) is N-[1-[2-(4-benzoylphenyl)propyl]piperidin-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-[2-(4-benzoylphenyl)propyl]piperidin-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-[2-(4-benzoylphenyl)propyl]piperidin-2-yl]cyclohexanecarboxamide is CC(CN1CCCCC1NC(=O)C1CCCCC1)c1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of N-[1-[2-(4-benzoylphenyl)propyl]piperidin-2-yl]cyclohexanecarboxamide?
The InChIKey is JXGGPQLLQWLACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O2/c1-21(22-15-17-24(18-16-22)27(31)23-10-4-2-5-11-23)20-30-19-9-8-14-26(30)29-28(32)25-12-6-3-7-13-25/h2,4-5,10-11,15-18,21,25-26H,3,6-9,12-14,19-20H2,1H3,(H,29,32).
What are the key properties of N-[1-[2-(4-benzoylphenyl)propyl]piperidin-2-yl]cyclohexanecarboxamide?
N-[1-[2-(4-benzoylphenyl)propyl]piperidin-2-yl]cyclohexanecarboxamide has a molecular weight of 432.61 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-benzoylphenyl)propyl]piperidin-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 70524385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).