4-pentyl-N-[(4-phenylphenyl)methyl]-N-[[1-(3-phenylpropyl)piperidin-4-yl]methyl]benzamide

C40H48N2O — CID 11757800

IUPAC4-pentyl-N-[(4-phenylphenyl)methyl]-N-[[1-(3-phenylpropyl)piperidin-4-yl]methyl]benzamide
SMILESCCCCCc1ccc(C(=O)N(Cc2ccc(-c3ccccc3)cc2)CC2CCN(CCCc3ccccc3)CC2)cc1
InChIInChI=1S/C40H48N2O/c1-2-3-6-12-34-18-24-39(25-19-34)40(43)42(31-35-20-22-38(23-21-35)37-16-9-5-10-17-37)32-36-26-29-41(30-27-36)28-11-15-33-13-7-4-8-14-33/h4-5,7-10,13-14,16-25,36H,2-3,6,11-12,15,26-32H2,1H3
InChIKeyRIHRYTUQNTUQII-UHFFFAOYSA-N
MW572.84 g/mol
LogP9.07
Rot. Bonds14

About 4-pentyl-N-[(4-phenylphenyl)methyl]-N-[[1-(3-phenylpropyl)piperidin-4-yl]methyl]benzamide

4-pentyl-N-[(4-phenylphenyl)methyl]-N-[[1-(3-phenylpropyl)piperidin-4-yl]methyl]benzamide (PubChem CID 11757800) has the molecular formula C40H48N2O and a molecular weight of 572.84 g/mol. Its IUPAC name is 4-pentyl-N-[(4-phenylphenyl)methyl]-N-[[1-(3-phenylpropyl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name4-pentyl-N-[(4-phenylphenyl)methyl]-N-[[1-(3-phenylpropyl)piperidin-4-yl]methyl]benzamide
PubChem CID11757800
Molecular FormulaC40H48N2O
Molecular Weight572.84 g/mol
Exact Mass572.38
IUPAC Name4-pentyl-N-[(4-phenylphenyl)methyl]-N-[[1-(3-phenylpropyl)piperidin-4-yl]methyl]benzamide
SMILESCCCCCc1ccc(C(=O)N(Cc2ccc(-c3ccccc3)cc2)CC2CCN(CCCc3ccccc3)CC2)cc1
InChIInChI=1S/C40H48N2O/c1-2-3-6-12-34-18-24-39(25-19-34)40(43)42(31-35-20-22-38(23-21-35)37-16-9-5-10-17-37)32-36-26-29-41(30-27-36)28-11-15-33-13-7-4-8-14-33/h4-5,7-10,13-14,16-25,36H,2-3,6,11-12,15,26-32H2,1H3
InChIKeyRIHRYTUQNTUQII-UHFFFAOYSA-N
XLogP9.07
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.84
LogP ≤ 59.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-pentyl-N-[(4-phenylphenyl)methyl]-N-[[1-(3-phenylpropyl)piperidin-4-yl]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 4-pentyl-N-[(4-phenylphenyl)methyl]-N-[[1-(3-phenylpropyl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 4-pentyl-N-[(4-phenylphenyl)methyl]-N-[[1-(3-phenylpropyl)piperidin-4-yl]methyl]benzamide (CID 11757800) is 4-pentyl-N-[(4-phenylphenyl)methyl]-N-[[1-(3-phenylpropyl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 4-pentyl-N-[(4-phenylphenyl)methyl]-N-[[1-(3-phenylpropyl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 4-pentyl-N-[(4-phenylphenyl)methyl]-N-[[1-(3-phenylpropyl)piperidin-4-yl]methyl]benzamide is CCCCCc1ccc(C(=O)N(Cc2ccc(-c3ccccc3)cc2)CC2CCN(CCCc3ccccc3)CC2)cc1.
What is the InChIKey of 4-pentyl-N-[(4-phenylphenyl)methyl]-N-[[1-(3-phenylpropyl)piperidin-4-yl]methyl]benzamide?
The InChIKey is RIHRYTUQNTUQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H48N2O/c1-2-3-6-12-34-18-24-39(25-19-34)40(43)42(31-35-20-22-38(23-21-35)37-16-9-5-10-17-37)32-36-26-29-41(30-27-36)28-11-15-33-13-7-4-8-14-33/h4-5,7-10,13-14,16-25,36H,2-3,6,11-12,15,26-32H2,1H3.
What are the key properties of 4-pentyl-N-[(4-phenylphenyl)methyl]-N-[[1-(3-phenylpropyl)piperidin-4-yl]methyl]benzamide?
4-pentyl-N-[(4-phenylphenyl)methyl]-N-[[1-(3-phenylpropyl)piperidin-4-yl]methyl]benzamide has a molecular weight of 572.84 g/mol, XLogP of 9.07, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentyl-N-[(4-phenylphenyl)methyl]-N-[[1-(3-phenylpropyl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 11757800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).