4-(4-benzylpiperidin-1-yl)-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-4-oxobutanamide

C32H45N3O2 — CID 11555185

IUPAC4-(4-benzylpiperidin-1-yl)-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-4-oxobutanamide
SMILESCc1cccc(CC2(N(C)C)CCC(NC(=O)CCC(=O)N3CCC(Cc4ccccc4)CC3)CC2)c1
InChIInChI=1S/C32H45N3O2/c1-25-8-7-11-28(22-25)24-32(34(2)3)18-14-29(15-19-32)33-30(36)12-13-31(37)35-20-16-27(17-21-35)23-26-9-5-4-6-10-26/h4-11,22,27,29H,12-21,23-24H2,1-3H3,(H,33,36)
InChIKeyYHVXIGNLLCWCFP-UHFFFAOYSA-N
MW503.73 g/mol
LogP5.16
Rot. Bonds9

About 4-(4-benzylpiperidin-1-yl)-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-4-oxobutanamide

4-(4-benzylpiperidin-1-yl)-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-4-oxobutanamide (PubChem CID 11555185) has the molecular formula C32H45N3O2 and a molecular weight of 503.73 g/mol. Its IUPAC name is 4-(4-benzylpiperidin-1-yl)-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-benzylpiperidin-1-yl)-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-4-oxobutanamide
PubChem CID11555185
Molecular FormulaC32H45N3O2
Molecular Weight503.73 g/mol
Exact Mass503.35
IUPAC Name4-(4-benzylpiperidin-1-yl)-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-4-oxobutanamide
SMILESCc1cccc(CC2(N(C)C)CCC(NC(=O)CCC(=O)N3CCC(Cc4ccccc4)CC3)CC2)c1
InChIInChI=1S/C32H45N3O2/c1-25-8-7-11-28(22-25)24-32(34(2)3)18-14-29(15-19-32)33-30(36)12-13-31(37)35-20-16-27(17-21-35)23-26-9-5-4-6-10-26/h4-11,22,27,29H,12-21,23-24H2,1-3H3,(H,33,36)
InChIKeyYHVXIGNLLCWCFP-UHFFFAOYSA-N
XLogP5.16
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.73
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-benzylpiperidin-1-yl)-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-4-oxobutanamide with MolForge

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Related Compounds

4-[4-(4-chlorophenyl)piperazin-1-yl]-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-4-oxobutanamide
CID 66621500
N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]propanamide
CID 91455018
2-benzylsulfanyl-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]acetamide
CID 11704258
N'-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N-[(4-methoxyphenyl)methyl]butanediamide
CID 11634099
1-(4-benzylpiperidin-1-yl)-2-[(3-methylphenyl)methylamino]ethanone
CID 108996770
N-(1-acetylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 110715006
3-(3-methylphenyl)-N-(1-pentanoylpiperidin-4-yl)propanamide
CID 110819545
4-[(3-methylphenyl)methyl]piperidine-1-carboxylic acid
CID 69344046
4-[4-(4-chlorophenyl)piperazin-1-yl]-N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]-4-oxobutanamide;N'-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N-[2-(3-fluorophenyl)ethyl]butanediamide;N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]-4-[4-(2-methylphenyl)piperazin-1-yl]-4-oxobutanamide
CID 87787813
N'-benzyl-N-[4-[(3-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-N'-methylbutanediamide
CID 66621119
(5-methyl-2-phenyltriazol-4-yl) N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]carbamate
CID 91304802
1-benzyl-1-N,1-N-dimethylcyclohexane-1,4-diamine;N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N'-[2-(1H-indol-3-yl)ethyl]-N'-methylbutanediamide
CID 172697287

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperidin-1-yl)-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-4-oxobutanamide?
The IUPAC name of 4-(4-benzylpiperidin-1-yl)-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-4-oxobutanamide (CID 11555185) is 4-(4-benzylpiperidin-1-yl)-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-benzylpiperidin-1-yl)-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-4-oxobutanamide?
The canonical SMILES for 4-(4-benzylpiperidin-1-yl)-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-4-oxobutanamide is Cc1cccc(CC2(N(C)C)CCC(NC(=O)CCC(=O)N3CCC(Cc4ccccc4)CC3)CC2)c1.
What is the InChIKey of 4-(4-benzylpiperidin-1-yl)-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-4-oxobutanamide?
The InChIKey is YHVXIGNLLCWCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H45N3O2/c1-25-8-7-11-28(22-25)24-32(34(2)3)18-14-29(15-19-32)33-30(36)12-13-31(37)35-20-16-27(17-21-35)23-26-9-5-4-6-10-26/h4-11,22,27,29H,12-21,23-24H2,1-3H3,(H,33,36).
What are the key properties of 4-(4-benzylpiperidin-1-yl)-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-4-oxobutanamide?
4-(4-benzylpiperidin-1-yl)-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-4-oxobutanamide has a molecular weight of 503.73 g/mol, XLogP of 5.16, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperidin-1-yl)-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-4-oxobutanamide is sourced from PubChem (CID 11555185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).