4-heptyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylbenzamide

C32H42N4O2 — CID 10436530

IUPAC4-heptyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylbenzamide
SMILESCCCCCCCc1ccc(C(=O)N(CCN2CCN(c3ccccc3OC)CC2)c2ccccn2)cc1
InChIInChI=1S/C32H42N4O2/c1-3-4-5-6-7-12-27-16-18-28(19-17-27)32(37)36(31-15-10-11-20-33-31)26-23-34-21-24-35(25-22-34)29-13-8-9-14-30(29)38-2/h8-11,13-20H,3-7,12,21-26H2,1-2H3
InChIKeyFKYSYPCWPQLHKU-UHFFFAOYSA-N
MW514.71 g/mol
LogP6.07
Rot. Bonds13

About 4-heptyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylbenzamide

4-heptyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylbenzamide (PubChem CID 10436530) has the molecular formula C32H42N4O2 and a molecular weight of 514.71 g/mol. Its IUPAC name is 4-heptyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name4-heptyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylbenzamide
PubChem CID10436530
Molecular FormulaC32H42N4O2
Molecular Weight514.71 g/mol
Exact Mass514.33
IUPAC Name4-heptyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylbenzamide
SMILESCCCCCCCc1ccc(C(=O)N(CCN2CCN(c3ccccc3OC)CC2)c2ccccn2)cc1
InChIInChI=1S/C32H42N4O2/c1-3-4-5-6-7-12-27-16-18-28(19-17-27)32(37)36(31-15-10-11-20-33-31)26-23-34-21-24-35(25-22-34)29-13-8-9-14-30(29)38-2/h8-11,13-20H,3-7,12,21-26H2,1-2H3
InChIKeyFKYSYPCWPQLHKU-UHFFFAOYSA-N
XLogP6.07
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.71
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-heptyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylbenzamide 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-heptyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylbenzamide?
The IUPAC name of 4-heptyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylbenzamide (CID 10436530) is 4-heptyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 4-heptyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylbenzamide?
The canonical SMILES for 4-heptyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylbenzamide is CCCCCCCc1ccc(C(=O)N(CCN2CCN(c3ccccc3OC)CC2)c2ccccn2)cc1.
What is the InChIKey of 4-heptyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylbenzamide?
The InChIKey is FKYSYPCWPQLHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N4O2/c1-3-4-5-6-7-12-27-16-18-28(19-17-27)32(37)36(31-15-10-11-20-33-31)26-23-34-21-24-35(25-22-34)29-13-8-9-14-30(29)38-2/h8-11,13-20H,3-7,12,21-26H2,1-2H3.
What are the key properties of 4-heptyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylbenzamide?
4-heptyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylbenzamide has a molecular weight of 514.71 g/mol, XLogP of 6.07, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 10436530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).