1-acetyl-N-benzyl-4-[(4-methoxybenzoyl)-[(4-methylphenyl)methyl]amino]piperidine-4-carboxamide

C31H35N3O4 — CID 46356908

IUPAC1-acetyl-N-benzyl-4-[(4-methoxybenzoyl)-[(4-methylphenyl)methyl]amino]piperidine-4-carboxamide
SMILESCOc1ccc(C(=O)N(Cc2ccc(C)cc2)C2(C(=O)NCc3ccccc3)CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C31H35N3O4/c1-23-9-11-26(12-10-23)22-34(29(36)27-13-15-28(38-3)16-14-27)31(17-19-33(20-18-31)24(2)35)30(37)32-21-25-7-5-4-6-8-25/h4-16H,17-22H2,1-3H3,(H,32,37)
InChIKeyINLFXXSEDKPQEG-UHFFFAOYSA-N
MW513.64 g/mol
LogP4.34
Rot. Bonds8

About 1-acetyl-N-benzyl-4-[(4-methoxybenzoyl)-[(4-methylphenyl)methyl]amino]piperidine-4-carboxamide

1-acetyl-N-benzyl-4-[(4-methoxybenzoyl)-[(4-methylphenyl)methyl]amino]piperidine-4-carboxamide (PubChem CID 46356908) has the molecular formula C31H35N3O4 and a molecular weight of 513.64 g/mol. Its IUPAC name is 1-acetyl-N-benzyl-4-[(4-methoxybenzoyl)-[(4-methylphenyl)methyl]amino]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-benzyl-4-[(4-methoxybenzoyl)-[(4-methylphenyl)methyl]amino]piperidine-4-carboxamide
PubChem CID46356908
Molecular FormulaC31H35N3O4
Molecular Weight513.64 g/mol
Exact Mass513.26
IUPAC Name1-acetyl-N-benzyl-4-[(4-methoxybenzoyl)-[(4-methylphenyl)methyl]amino]piperidine-4-carboxamide
SMILESCOc1ccc(C(=O)N(Cc2ccc(C)cc2)C2(C(=O)NCc3ccccc3)CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C31H35N3O4/c1-23-9-11-26(12-10-23)22-34(29(36)27-13-15-28(38-3)16-14-27)31(17-19-33(20-18-31)24(2)35)30(37)32-21-25-7-5-4-6-8-25/h4-16H,17-22H2,1-3H3,(H,32,37)
InChIKeyINLFXXSEDKPQEG-UHFFFAOYSA-N
XLogP4.34
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.64
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-acetyl-N-benzyl-4-[(4-methoxybenzoyl)-[(4-methylphenyl)methyl]amino]piperidine-4-carboxamide with MolForge

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Related Compounds

1-acetyl-N-benzyl-4-[(4-methoxybenzoyl)-[(3-methoxyphenyl)methyl]amino]piperidine-4-carboxamide
CID 46356914
1-acetyl-N-benzyl-4-[(4-fluorophenyl)methyl-(4-methylbenzoyl)amino]piperidine-4-carboxamide
CID 22580555
1-acetyl-N-benzyl-4-[(3-fluorophenyl)methyl-(4-methylbenzoyl)amino]piperidine-4-carboxamide
CID 46356893
1-acetyl-N-benzyl-4-[2-(cyclohexen-1-yl)ethyl-(4-methylbenzoyl)amino]piperidine-4-carboxamide
CID 46356879
N-[(4-methoxyphenyl)methyl]-4-methyl-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 52999111
4-methoxy-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]benzamide
CID 23988040
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 8527029
N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 113198206
N-benzyl-N-[(1R)-2-[(4-methoxyphenyl)methylamino]-1-(4-methylphenyl)-2-oxoethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 98105322
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-benzylacetamide
CID 113163044
N-benzyl-4-(4-methoxybenzoyl)-1,4-diazepane-1-carboxamide
CID 23935697
2-(4-acetylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 8904372

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-benzyl-4-[(4-methoxybenzoyl)-[(4-methylphenyl)methyl]amino]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-benzyl-4-[(4-methoxybenzoyl)-[(4-methylphenyl)methyl]amino]piperidine-4-carboxamide (CID 46356908) is 1-acetyl-N-benzyl-4-[(4-methoxybenzoyl)-[(4-methylphenyl)methyl]amino]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-benzyl-4-[(4-methoxybenzoyl)-[(4-methylphenyl)methyl]amino]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-benzyl-4-[(4-methoxybenzoyl)-[(4-methylphenyl)methyl]amino]piperidine-4-carboxamide is COc1ccc(C(=O)N(Cc2ccc(C)cc2)C2(C(=O)NCc3ccccc3)CCN(C(C)=O)CC2)cc1.
What is the InChIKey of 1-acetyl-N-benzyl-4-[(4-methoxybenzoyl)-[(4-methylphenyl)methyl]amino]piperidine-4-carboxamide?
The InChIKey is INLFXXSEDKPQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N3O4/c1-23-9-11-26(12-10-23)22-34(29(36)27-13-15-28(38-3)16-14-27)31(17-19-33(20-18-31)24(2)35)30(37)32-21-25-7-5-4-6-8-25/h4-16H,17-22H2,1-3H3,(H,32,37).
What are the key properties of 1-acetyl-N-benzyl-4-[(4-methoxybenzoyl)-[(4-methylphenyl)methyl]amino]piperidine-4-carboxamide?
1-acetyl-N-benzyl-4-[(4-methoxybenzoyl)-[(4-methylphenyl)methyl]amino]piperidine-4-carboxamide has a molecular weight of 513.64 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-benzyl-4-[(4-methoxybenzoyl)-[(4-methylphenyl)methyl]amino]piperidine-4-carboxamide is sourced from PubChem (CID 46356908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).