5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[2-(3-methylphenyl)phenyl]methyl]pentanamide

C30H37N3O2 — CID 72548117

IUPAC5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[2-(3-methylphenyl)phenyl]methyl]pentanamide
SMILESCOc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2cccc(C)c2)CC1
InChIInChI=1S/C30H37N3O2/c1-24-10-9-12-25(22-24)27-13-4-3-11-26(27)23-31-30(34)16-7-8-17-32-18-20-33(21-19-32)28-14-5-6-15-29(28)35-2/h3-6,9-15,22H,7-8,16-21,23H2,1-2H3,(H,31,34)
InChIKeyRBMLENGPJGLNFK-UHFFFAOYSA-N
MW471.65 g/mol
LogP5.28
Rot. Bonds10

About 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[2-(3-methylphenyl)phenyl]methyl]pentanamide

5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[2-(3-methylphenyl)phenyl]methyl]pentanamide (PubChem CID 72548117) has the molecular formula C30H37N3O2 and a molecular weight of 471.65 g/mol. Its IUPAC name is 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[2-(3-methylphenyl)phenyl]methyl]pentanamide.

Molecular Properties

Compound Name5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[2-(3-methylphenyl)phenyl]methyl]pentanamide
PubChem CID72548117
Molecular FormulaC30H37N3O2
Molecular Weight471.65 g/mol
Exact Mass471.29
IUPAC Name5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[2-(3-methylphenyl)phenyl]methyl]pentanamide
SMILESCOc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2cccc(C)c2)CC1
InChIInChI=1S/C30H37N3O2/c1-24-10-9-12-25(22-24)27-13-4-3-11-26(27)23-31-30(34)16-7-8-17-32-18-20-33(21-19-32)28-14-5-6-15-29(28)35-2/h3-6,9-15,22H,7-8,16-21,23H2,1-2H3,(H,31,34)
InChIKeyRBMLENGPJGLNFK-UHFFFAOYSA-N
XLogP5.28
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.65
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[2-(3-methylphenyl)phenyl]methyl]pentanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[2-(3-methylphenyl)phenyl]methyl]pentanamide?
The IUPAC name of 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[2-(3-methylphenyl)phenyl]methyl]pentanamide (CID 72548117) is 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[2-(3-methylphenyl)phenyl]methyl]pentanamide.
What is the SMILES notation for 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[2-(3-methylphenyl)phenyl]methyl]pentanamide?
The canonical SMILES for 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[2-(3-methylphenyl)phenyl]methyl]pentanamide is COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2cccc(C)c2)CC1.
What is the InChIKey of 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[2-(3-methylphenyl)phenyl]methyl]pentanamide?
The InChIKey is RBMLENGPJGLNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O2/c1-24-10-9-12-25(22-24)27-13-4-3-11-26(27)23-31-30(34)16-7-8-17-32-18-20-33(21-19-32)28-14-5-6-15-29(28)35-2/h3-6,9-15,22H,7-8,16-21,23H2,1-2H3,(H,31,34).
What are the key properties of 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[2-(3-methylphenyl)phenyl]methyl]pentanamide?
5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[2-(3-methylphenyl)phenyl]methyl]pentanamide has a molecular weight of 471.65 g/mol, XLogP of 5.28, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[2-(3-methylphenyl)phenyl]methyl]pentanamide is sourced from PubChem (CID 72548117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).