N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-phenylphenyl)methyl]benzamide

C37H42N2O — CID 10302032

IUPACN-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-phenylphenyl)methyl]benzamide
SMILESCCCCCc1ccc(C(=O)N(Cc2ccc(-c3ccccc3)cc2)C2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C37H42N2O/c1-2-3-6-11-30-16-22-35(23-17-30)37(40)39(29-32-18-20-34(21-19-32)33-14-9-5-10-15-33)36-24-26-38(27-25-36)28-31-12-7-4-8-13-31/h4-5,7-10,12-23,36H,2-3,6,11,24-29H2,1H3
InChIKeyOBJNIJHFRDNIQT-UHFFFAOYSA-N
MW530.76 g/mol
LogP8.39
Rot. Bonds11

About N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-phenylphenyl)methyl]benzamide

N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-phenylphenyl)methyl]benzamide (PubChem CID 10302032) has the molecular formula C37H42N2O and a molecular weight of 530.76 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-phenylphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-phenylphenyl)methyl]benzamide
PubChem CID10302032
Molecular FormulaC37H42N2O
Molecular Weight530.76 g/mol
Exact Mass530.33
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-phenylphenyl)methyl]benzamide
SMILESCCCCCc1ccc(C(=O)N(Cc2ccc(-c3ccccc3)cc2)C2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C37H42N2O/c1-2-3-6-11-30-16-22-35(23-17-30)37(40)39(29-32-18-20-34(21-19-32)33-14-9-5-10-15-33)36-24-26-38(27-25-36)28-31-12-7-4-8-13-31/h4-5,7-10,12-23,36H,2-3,6,11,24-29H2,1H3
InChIKeyOBJNIJHFRDNIQT-UHFFFAOYSA-N
XLogP8.39
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.76
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-phenylphenyl)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

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-phenylphenyl)methyl]benzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-phenylphenyl)methyl]benzamide (CID 10302032) is N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-phenylphenyl)methyl]benzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-phenylphenyl)methyl]benzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-phenylphenyl)methyl]benzamide is CCCCCc1ccc(C(=O)N(Cc2ccc(-c3ccccc3)cc2)C2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-phenylphenyl)methyl]benzamide?
The InChIKey is OBJNIJHFRDNIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H42N2O/c1-2-3-6-11-30-16-22-35(23-17-30)37(40)39(29-32-18-20-34(21-19-32)33-14-9-5-10-15-33)36-24-26-38(27-25-36)28-31-12-7-4-8-13-31/h4-5,7-10,12-23,36H,2-3,6,11,24-29H2,1H3.
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-phenylphenyl)methyl]benzamide?
N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-phenylphenyl)methyl]benzamide has a molecular weight of 530.76 g/mol, XLogP of 8.39, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-phenylphenyl)methyl]benzamide is sourced from PubChem (CID 10302032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).