N-(1-benzylpiperidin-4-yl)-N-(4-cyclohexylphenyl)propanamide

C27H36N2O — CID 90316604

IUPACN-(1-benzylpiperidin-4-yl)-N-(4-cyclohexylphenyl)propanamide
SMILESCCC(=O)N(c1ccc(C2CCCCC2)cc1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C27H36N2O/c1-2-27(30)29(25-15-13-24(14-16-25)23-11-7-4-8-12-23)26-17-19-28(20-18-26)21-22-9-5-3-6-10-22/h3,5-6,9-10,13-16,23,26H,2,4,7-8,11-12,17-21H2,1H3
InChIKeyXKZGBNFDGRTQML-UHFFFAOYSA-N
MW404.60 g/mol
LogP6.14
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-N-(4-cyclohexylphenyl)propanamide

N-(1-benzylpiperidin-4-yl)-N-(4-cyclohexylphenyl)propanamide (PubChem CID 90316604) has the molecular formula C27H36N2O and a molecular weight of 404.60 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-N-(4-cyclohexylphenyl)propanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-N-(4-cyclohexylphenyl)propanamide
PubChem CID90316604
Molecular FormulaC27H36N2O
Molecular Weight404.60 g/mol
Exact Mass404.28
IUPAC NameN-(1-benzylpiperidin-4-yl)-N-(4-cyclohexylphenyl)propanamide
SMILESCCC(=O)N(c1ccc(C2CCCCC2)cc1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C27H36N2O/c1-2-27(30)29(25-15-13-24(14-16-25)23-11-7-4-8-12-23)26-17-19-28(20-18-26)21-22-9-5-3-6-10-22/h3,5-6,9-10,13-16,23,26H,2,4,7-8,11-12,17-21H2,1H3
InChIKeyXKZGBNFDGRTQML-UHFFFAOYSA-N
XLogP6.14
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.60
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 3345
ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 160668171
but-2-enedioic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 68613507
N-(4-methoxyphenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]propanamide
CID 42853290
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide azide
CID 126650510
4-(1-benzylpiperidin-4-yl)benzoic acid
CID 125492559
N-(1-butylpiperidin-4-yl)-N-phenylpropanamide
CID 91753688
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide sulfate
CID 53341505
N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(4-ethylphenyl)propanamide
CID 46054953
3,3,3-trideuterio-N-[1-(2,2-dideuterio-2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
CID 44621110
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-N-phenylpropanamide
CID 3081002
(E)-but-2-enedioic acid;N-phenyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]propanamide
CID 6445104

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-N-(4-cyclohexylphenyl)propanamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-N-(4-cyclohexylphenyl)propanamide (CID 90316604) is N-(1-benzylpiperidin-4-yl)-N-(4-cyclohexylphenyl)propanamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-N-(4-cyclohexylphenyl)propanamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-N-(4-cyclohexylphenyl)propanamide is CCC(=O)N(c1ccc(C2CCCCC2)cc1)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-N-(4-cyclohexylphenyl)propanamide?
The InChIKey is XKZGBNFDGRTQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O/c1-2-27(30)29(25-15-13-24(14-16-25)23-11-7-4-8-12-23)26-17-19-28(20-18-26)21-22-9-5-3-6-10-22/h3,5-6,9-10,13-16,23,26H,2,4,7-8,11-12,17-21H2,1H3.
What are the key properties of N-(1-benzylpiperidin-4-yl)-N-(4-cyclohexylphenyl)propanamide?
N-(1-benzylpiperidin-4-yl)-N-(4-cyclohexylphenyl)propanamide has a molecular weight of 404.60 g/mol, XLogP of 6.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-N-(4-cyclohexylphenyl)propanamide is sourced from PubChem (CID 90316604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).