4-[(4-benzylphenyl)carbamoyl-methylamino]-N-(1-benzylpiperidin-4-yl)-2-methoxybenzamide

C35H38N4O3 — CID 58730707

IUPAC4-[(4-benzylphenyl)carbamoyl-methylamino]-N-(1-benzylpiperidin-4-yl)-2-methoxybenzamide
SMILESCOc1cc(N(C)C(=O)Nc2ccc(Cc3ccccc3)cc2)ccc1C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C35H38N4O3/c1-38(35(41)37-29-15-13-27(14-16-29)23-26-9-5-3-6-10-26)31-17-18-32(33(24-31)42-2)34(40)36-30-19-21-39(22-20-30)25-28-11-7-4-8-12-28/h3-18,24,30H,19-23,25H2,1-2H3,(H,36,40)(H,37,41)
InChIKeyGLJOZXHFQOZMPA-UHFFFAOYSA-N
MW562.71 g/mol
LogP6.35
Rot. Bonds9

About 4-[(4-benzylphenyl)carbamoyl-methylamino]-N-(1-benzylpiperidin-4-yl)-2-methoxybenzamide

4-[(4-benzylphenyl)carbamoyl-methylamino]-N-(1-benzylpiperidin-4-yl)-2-methoxybenzamide (PubChem CID 58730707) has the molecular formula C35H38N4O3 and a molecular weight of 562.71 g/mol. Its IUPAC name is 4-[(4-benzylphenyl)carbamoyl-methylamino]-N-(1-benzylpiperidin-4-yl)-2-methoxybenzamide.

Molecular Properties

Compound Name4-[(4-benzylphenyl)carbamoyl-methylamino]-N-(1-benzylpiperidin-4-yl)-2-methoxybenzamide
PubChem CID58730707
Molecular FormulaC35H38N4O3
Molecular Weight562.71 g/mol
Exact Mass562.29
IUPAC Name4-[(4-benzylphenyl)carbamoyl-methylamino]-N-(1-benzylpiperidin-4-yl)-2-methoxybenzamide
SMILESCOc1cc(N(C)C(=O)Nc2ccc(Cc3ccccc3)cc2)ccc1C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C35H38N4O3/c1-38(35(41)37-29-15-13-27(14-16-29)23-26-9-5-3-6-10-26)31-17-18-32(33(24-31)42-2)34(40)36-30-19-21-39(22-20-30)25-28-11-7-4-8-12-28/h3-18,24,30H,19-23,25H2,1-2H3,(H,36,40)(H,37,41)
InChIKeyGLJOZXHFQOZMPA-UHFFFAOYSA-N
XLogP6.35
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.71
LogP ≤ 56.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(4-benzylphenyl)carbamoyl-methylamino]-N-(1-benzylpiperidin-4-yl)-2-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-benzylpiperidin-4-yl)-2-methoxy-4-(methylamino)benzamide
CID 58730731
N-(1-benzylpiperidin-4-yl)-4-[methyl-[(3-phenoxyphenyl)carbamoyl]amino]benzamide
CID 91133841
4-acetamido-N-(1-benzylpiperidin-4-yl)-2-phenylmethoxybenzamide
CID 154225250
4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;dihydrochloride
CID 119827622
N-(1-benzylpiperidin-4-yl)-5-iodo-2,3-dimethoxybenzamide
CID 15167711
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2,4-dimethoxybenzamide
CID 17336206
N-(1-benzylpyrrolidin-3-yl)-2,5-dimethoxybenzamide
CID 18156341
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxy-4-[(2-piperidin-1-ylacetyl)amino]benzamide
CID 3044764
N-(1-benzylpiperidin-4-yl)-5-butyl-2,3-dimethoxybenzamide
CID 15167722
2-(2-aminoethoxy)-N-(1-benzylpyrrolidin-3-yl)-4-methoxybenzamide
CID 118784879
N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-methoxy-4-[methyl-(2,2,2-trifluoroacetyl)amino]benzamide
CID 12861966

Frequently Asked Questions

What is the IUPAC name of 4-[(4-benzylphenyl)carbamoyl-methylamino]-N-(1-benzylpiperidin-4-yl)-2-methoxybenzamide?
The IUPAC name of 4-[(4-benzylphenyl)carbamoyl-methylamino]-N-(1-benzylpiperidin-4-yl)-2-methoxybenzamide (CID 58730707) is 4-[(4-benzylphenyl)carbamoyl-methylamino]-N-(1-benzylpiperidin-4-yl)-2-methoxybenzamide.
What is the SMILES notation for 4-[(4-benzylphenyl)carbamoyl-methylamino]-N-(1-benzylpiperidin-4-yl)-2-methoxybenzamide?
The canonical SMILES for 4-[(4-benzylphenyl)carbamoyl-methylamino]-N-(1-benzylpiperidin-4-yl)-2-methoxybenzamide is COc1cc(N(C)C(=O)Nc2ccc(Cc3ccccc3)cc2)ccc1C(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-[(4-benzylphenyl)carbamoyl-methylamino]-N-(1-benzylpiperidin-4-yl)-2-methoxybenzamide?
The InChIKey is GLJOZXHFQOZMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38N4O3/c1-38(35(41)37-29-15-13-27(14-16-29)23-26-9-5-3-6-10-26)31-17-18-32(33(24-31)42-2)34(40)36-30-19-21-39(22-20-30)25-28-11-7-4-8-12-28/h3-18,24,30H,19-23,25H2,1-2H3,(H,36,40)(H,37,41).
What are the key properties of 4-[(4-benzylphenyl)carbamoyl-methylamino]-N-(1-benzylpiperidin-4-yl)-2-methoxybenzamide?
4-[(4-benzylphenyl)carbamoyl-methylamino]-N-(1-benzylpiperidin-4-yl)-2-methoxybenzamide has a molecular weight of 562.71 g/mol, XLogP of 6.35, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-benzylphenyl)carbamoyl-methylamino]-N-(1-benzylpiperidin-4-yl)-2-methoxybenzamide is sourced from PubChem (CID 58730707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).