N-(1-benzylpiperidin-4-yl)-3-[cyclohexyl-[(3-methylphenyl)carbamoyl]amino]propanamide

C29H40N4O2 — CID 4271273

IUPACN-(1-benzylpiperidin-4-yl)-3-[cyclohexyl-[(3-methylphenyl)carbamoyl]amino]propanamide
SMILESCc1cccc(NC(=O)N(CCC(=O)NC2CCN(Cc3ccccc3)CC2)C2CCCCC2)c1
InChIInChI=1S/C29H40N4O2/c1-23-9-8-12-26(21-23)31-29(35)33(27-13-6-3-7-14-27)20-17-28(34)30-25-15-18-32(19-16-25)22-24-10-4-2-5-11-24/h2,4-5,8-12,21,25,27H,3,6-7,13-20,22H2,1H3,(H,30,34)(H,31,35)
InChIKeyCFBWWBOMAAFXPU-UHFFFAOYSA-N
MW476.67 g/mol
LogP5.33
Rot. Bonds8

About N-(1-benzylpiperidin-4-yl)-3-[cyclohexyl-[(3-methylphenyl)carbamoyl]amino]propanamide

N-(1-benzylpiperidin-4-yl)-3-[cyclohexyl-[(3-methylphenyl)carbamoyl]amino]propanamide (PubChem CID 4271273) has the molecular formula C29H40N4O2 and a molecular weight of 476.67 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-[cyclohexyl-[(3-methylphenyl)carbamoyl]amino]propanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-[cyclohexyl-[(3-methylphenyl)carbamoyl]amino]propanamide
PubChem CID4271273
Molecular FormulaC29H40N4O2
Molecular Weight476.67 g/mol
Exact Mass476.32
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-[cyclohexyl-[(3-methylphenyl)carbamoyl]amino]propanamide
SMILESCc1cccc(NC(=O)N(CCC(=O)NC2CCN(Cc3ccccc3)CC2)C2CCCCC2)c1
InChIInChI=1S/C29H40N4O2/c1-23-9-8-12-26(21-23)31-29(35)33(27-13-6-3-7-14-27)20-17-28(34)30-25-15-18-32(19-16-25)22-24-10-4-2-5-11-24/h2,4-5,8-12,21,25,27H,3,6-7,13-20,22H2,1H3,(H,30,34)(H,31,35)
InChIKeyCFBWWBOMAAFXPU-UHFFFAOYSA-N
XLogP5.33
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.67
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpiperidin-4-yl)-3-[(4-bromophenyl)carbamoyl-cyclohexylamino]propanamide
CID 42700266
N-(1-benzylpiperidin-4-yl)-3-[(3-methylphenyl)carbamoyl-propylamino]propanamide
CID 42700182
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
3-[acetyl(cycloheptyl)amino]-N-(3-methylphenyl)propanamide
CID 113122702
1-cyclopentyl-1-(2-hydroxyethyl)-3-(3-methylphenyl)urea
CID 54999134
N-(1-benzylpiperidin-4-yl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide
CID 84567171
N-(1-benzylpiperidin-4-yl)-3-(3-bromophenyl)propanamide
CID 127122392
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236
N'-(1-benzylpiperidin-4-yl)butanediamide
CID 151114474
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(1-benzylpiperidin-4-yl)acetamide
CID 11932070
1-(4-hydroxycyclohexyl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea
CID 110892524
N-(1-benzylpiperidin-4-yl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 29291844

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-[cyclohexyl-[(3-methylphenyl)carbamoyl]amino]propanamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-[cyclohexyl-[(3-methylphenyl)carbamoyl]amino]propanamide (CID 4271273) is N-(1-benzylpiperidin-4-yl)-3-[cyclohexyl-[(3-methylphenyl)carbamoyl]amino]propanamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-[cyclohexyl-[(3-methylphenyl)carbamoyl]amino]propanamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-[cyclohexyl-[(3-methylphenyl)carbamoyl]amino]propanamide is Cc1cccc(NC(=O)N(CCC(=O)NC2CCN(Cc3ccccc3)CC2)C2CCCCC2)c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-[cyclohexyl-[(3-methylphenyl)carbamoyl]amino]propanamide?
The InChIKey is CFBWWBOMAAFXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N4O2/c1-23-9-8-12-26(21-23)31-29(35)33(27-13-6-3-7-14-27)20-17-28(34)30-25-15-18-32(19-16-25)22-24-10-4-2-5-11-24/h2,4-5,8-12,21,25,27H,3,6-7,13-20,22H2,1H3,(H,30,34)(H,31,35).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-[cyclohexyl-[(3-methylphenyl)carbamoyl]amino]propanamide?
N-(1-benzylpiperidin-4-yl)-3-[cyclohexyl-[(3-methylphenyl)carbamoyl]amino]propanamide has a molecular weight of 476.67 g/mol, XLogP of 5.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-[cyclohexyl-[(3-methylphenyl)carbamoyl]amino]propanamide is sourced from PubChem (CID 4271273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).