4-[[[1-[(4-bromophenyl)methyl]piperidin-4-yl]-(2-ethylbutanoyl)amino]methyl]-N-[(3-methylphenyl)methyl]benzamide

C34H42BrN3O2 — CID 69241884

IUPAC4-[[[1-[(4-bromophenyl)methyl]piperidin-4-yl]-(2-ethylbutanoyl)amino]methyl]-N-[(3-methylphenyl)methyl]benzamide
SMILESCCC(CC)C(=O)N(Cc1ccc(C(=O)NCc2cccc(C)c2)cc1)C1CCN(Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C34H42BrN3O2/c1-4-29(5-2)34(40)38(32-17-19-37(20-18-32)23-26-11-15-31(35)16-12-26)24-27-9-13-30(14-10-27)33(39)36-22-28-8-6-7-25(3)21-28/h6-16,21,29,32H,4-5,17-20,22-24H2,1-3H3,(H,36,39)
InChIKeyWVYAMXSKWFWYOJ-UHFFFAOYSA-N
MW604.63 g/mol
LogP7.12
Rot. Bonds11

About 4-[[[1-[(4-bromophenyl)methyl]piperidin-4-yl]-(2-ethylbutanoyl)amino]methyl]-N-[(3-methylphenyl)methyl]benzamide

4-[[[1-[(4-bromophenyl)methyl]piperidin-4-yl]-(2-ethylbutanoyl)amino]methyl]-N-[(3-methylphenyl)methyl]benzamide (PubChem CID 69241884) has the molecular formula C34H42BrN3O2 and a molecular weight of 604.63 g/mol. Its IUPAC name is 4-[[[1-[(4-bromophenyl)methyl]piperidin-4-yl]-(2-ethylbutanoyl)amino]methyl]-N-[(3-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[[[1-[(4-bromophenyl)methyl]piperidin-4-yl]-(2-ethylbutanoyl)amino]methyl]-N-[(3-methylphenyl)methyl]benzamide
PubChem CID69241884
Molecular FormulaC34H42BrN3O2
Molecular Weight604.63 g/mol
Exact Mass603.25
IUPAC Name4-[[[1-[(4-bromophenyl)methyl]piperidin-4-yl]-(2-ethylbutanoyl)amino]methyl]-N-[(3-methylphenyl)methyl]benzamide
SMILESCCC(CC)C(=O)N(Cc1ccc(C(=O)NCc2cccc(C)c2)cc1)C1CCN(Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C34H42BrN3O2/c1-4-29(5-2)34(40)38(32-17-19-37(20-18-32)23-26-11-15-31(35)16-12-26)24-27-9-13-30(14-10-27)33(39)36-22-28-8-6-7-25(3)21-28/h6-16,21,29,32H,4-5,17-20,22-24H2,1-3H3,(H,36,39)
InChIKeyWVYAMXSKWFWYOJ-UHFFFAOYSA-N
XLogP7.12
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.63
LogP ≤ 57.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[[1-[(4-bromophenyl)methyl]piperidin-4-yl]-(2-ethylbutanoyl)amino]methyl]-N-[(3-methylphenyl)methyl]benzamide 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

4-[(4-benzylpiperidin-1-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide
CID 46043518
N-[(3,4-dimethoxyphenyl)methyl]-4-[[[1-[(4-methylphenyl)methyl]piperidin-4-yl]-(2-methylpropanoyl)amino]methyl]benzamide
CID 69243088
4-[[2-ethylbutanoyl-[1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]amino]methyl]-N-[(2-fluorophenyl)methyl]benzamide
CID 24830733
4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide
CID 42858799
1-[(4-bromophenyl)methyl]-N-(3-methylphenyl)piperidine-4-carboxamide
CID 43919037
4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide
CID 42858721
4-[[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-(2-ethylbutanoyl)amino]methyl]-N-[1-(1,3-dioxol-4-yl)-2-phenylethyl]benzamide
CID 69242000
N-[[3-[1-[(4-methylphenyl)methyl]piperidin-4-yl]phenyl]methyl]-4-methylsulfanylbenzamide
CID 23108747
N-benzyl-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43918767
4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]benzamide
CID 134067704
4-[(4-benzylpiperidin-1-yl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 42850871
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-[[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl]furan-2-carboxamide
CID 90829529

Frequently Asked Questions

What is the IUPAC name of 4-[[[1-[(4-bromophenyl)methyl]piperidin-4-yl]-(2-ethylbutanoyl)amino]methyl]-N-[(3-methylphenyl)methyl]benzamide?
The IUPAC name of 4-[[[1-[(4-bromophenyl)methyl]piperidin-4-yl]-(2-ethylbutanoyl)amino]methyl]-N-[(3-methylphenyl)methyl]benzamide (CID 69241884) is 4-[[[1-[(4-bromophenyl)methyl]piperidin-4-yl]-(2-ethylbutanoyl)amino]methyl]-N-[(3-methylphenyl)methyl]benzamide.
What is the SMILES notation for 4-[[[1-[(4-bromophenyl)methyl]piperidin-4-yl]-(2-ethylbutanoyl)amino]methyl]-N-[(3-methylphenyl)methyl]benzamide?
The canonical SMILES for 4-[[[1-[(4-bromophenyl)methyl]piperidin-4-yl]-(2-ethylbutanoyl)amino]methyl]-N-[(3-methylphenyl)methyl]benzamide is CCC(CC)C(=O)N(Cc1ccc(C(=O)NCc2cccc(C)c2)cc1)C1CCN(Cc2ccc(Br)cc2)CC1.
What is the InChIKey of 4-[[[1-[(4-bromophenyl)methyl]piperidin-4-yl]-(2-ethylbutanoyl)amino]methyl]-N-[(3-methylphenyl)methyl]benzamide?
The InChIKey is WVYAMXSKWFWYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42BrN3O2/c1-4-29(5-2)34(40)38(32-17-19-37(20-18-32)23-26-11-15-31(35)16-12-26)24-27-9-13-30(14-10-27)33(39)36-22-28-8-6-7-25(3)21-28/h6-16,21,29,32H,4-5,17-20,22-24H2,1-3H3,(H,36,39).
What are the key properties of 4-[[[1-[(4-bromophenyl)methyl]piperidin-4-yl]-(2-ethylbutanoyl)amino]methyl]-N-[(3-methylphenyl)methyl]benzamide?
4-[[[1-[(4-bromophenyl)methyl]piperidin-4-yl]-(2-ethylbutanoyl)amino]methyl]-N-[(3-methylphenyl)methyl]benzamide has a molecular weight of 604.63 g/mol, XLogP of 7.12, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[1-[(4-bromophenyl)methyl]piperidin-4-yl]-(2-ethylbutanoyl)amino]methyl]-N-[(3-methylphenyl)methyl]benzamide is sourced from PubChem (CID 69241884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).