N-[2-(4-benzoylpiperazin-1-yl)-5-phenylphenyl]naphthalene-1-carboxamide

C34H29N3O2 — CID 11613176

IUPACN-[2-(4-benzoylpiperazin-1-yl)-5-phenylphenyl]naphthalene-1-carboxamide
SMILESO=C(Nc1cc(-c2ccccc2)ccc1N1CCN(C(=O)c2ccccc2)CC1)c1cccc2ccccc12
InChIInChI=1S/C34H29N3O2/c38-33(30-17-9-15-26-12-7-8-16-29(26)30)35-31-24-28(25-10-3-1-4-11-25)18-19-32(31)36-20-22-37(23-21-36)34(39)27-13-5-2-6-14-27/h1-19,24H,20-23H2,(H,35,38)
InChIKeyRQXROFWMWOCDPZ-UHFFFAOYSA-N
MW511.63 g/mol
LogP6.72
Rot. Bonds5

About N-[2-(4-benzoylpiperazin-1-yl)-5-phenylphenyl]naphthalene-1-carboxamide

N-[2-(4-benzoylpiperazin-1-yl)-5-phenylphenyl]naphthalene-1-carboxamide (PubChem CID 11613176) has the molecular formula C34H29N3O2 and a molecular weight of 511.63 g/mol. Its IUPAC name is N-[2-(4-benzoylpiperazin-1-yl)-5-phenylphenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-benzoylpiperazin-1-yl)-5-phenylphenyl]naphthalene-1-carboxamide
PubChem CID11613176
Molecular FormulaC34H29N3O2
Molecular Weight511.63 g/mol
Exact Mass511.23
IUPAC NameN-[2-(4-benzoylpiperazin-1-yl)-5-phenylphenyl]naphthalene-1-carboxamide
SMILESO=C(Nc1cc(-c2ccccc2)ccc1N1CCN(C(=O)c2ccccc2)CC1)c1cccc2ccccc12
InChIInChI=1S/C34H29N3O2/c38-33(30-17-9-15-26-12-7-8-16-29(26)30)35-31-24-28(25-10-3-1-4-11-25)18-19-32(31)36-20-22-37(23-21-36)34(39)27-13-5-2-6-14-27/h1-19,24H,20-23H2,(H,35,38)
InChIKeyRQXROFWMWOCDPZ-UHFFFAOYSA-N
XLogP6.72
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.63
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-benzoylpiperazin-1-yl)-5-phenylphenyl]naphthalene-1-carboxamide 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-[2-(4-benzoylpiperazin-1-yl)-5-phenylphenyl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-(4-benzoylpiperazin-1-yl)-5-phenylphenyl]naphthalene-1-carboxamide (CID 11613176) is N-[2-(4-benzoylpiperazin-1-yl)-5-phenylphenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-(4-benzoylpiperazin-1-yl)-5-phenylphenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-(4-benzoylpiperazin-1-yl)-5-phenylphenyl]naphthalene-1-carboxamide is O=C(Nc1cc(-c2ccccc2)ccc1N1CCN(C(=O)c2ccccc2)CC1)c1cccc2ccccc12.
What is the InChIKey of N-[2-(4-benzoylpiperazin-1-yl)-5-phenylphenyl]naphthalene-1-carboxamide?
The InChIKey is RQXROFWMWOCDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29N3O2/c38-33(30-17-9-15-26-12-7-8-16-29(26)30)35-31-24-28(25-10-3-1-4-11-25)18-19-32(31)36-20-22-37(23-21-36)34(39)27-13-5-2-6-14-27/h1-19,24H,20-23H2,(H,35,38).
What are the key properties of N-[2-(4-benzoylpiperazin-1-yl)-5-phenylphenyl]naphthalene-1-carboxamide?
N-[2-(4-benzoylpiperazin-1-yl)-5-phenylphenyl]naphthalene-1-carboxamide has a molecular weight of 511.63 g/mol, XLogP of 6.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzoylpiperazin-1-yl)-5-phenylphenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 11613176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).