[4-(3-methoxybenzoyl)piperazin-1-yl]-(4-pyridin-2-ylphenyl)methanone

C24H23N3O3 — CID 122189043

IUPAC[4-(3-methoxybenzoyl)piperazin-1-yl]-(4-pyridin-2-ylphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCN(C(=O)c3ccc(-c4ccccn4)cc3)CC2)c1
InChIInChI=1S/C24H23N3O3/c1-30-21-6-4-5-20(17-21)24(29)27-15-13-26(14-16-27)23(28)19-10-8-18(9-11-19)22-7-2-3-12-25-22/h2-12,17H,13-16H2,1H3
InChIKeyIORXBTIJLGQAEJ-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.36
Rot. Bonds4

About [4-(3-methoxybenzoyl)piperazin-1-yl]-(4-pyridin-2-ylphenyl)methanone

[4-(3-methoxybenzoyl)piperazin-1-yl]-(4-pyridin-2-ylphenyl)methanone (PubChem CID 122189043) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is [4-(3-methoxybenzoyl)piperazin-1-yl]-(4-pyridin-2-ylphenyl)methanone.

Molecular Properties

Compound Name[4-(3-methoxybenzoyl)piperazin-1-yl]-(4-pyridin-2-ylphenyl)methanone
PubChem CID122189043
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name[4-(3-methoxybenzoyl)piperazin-1-yl]-(4-pyridin-2-ylphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCN(C(=O)c3ccc(-c4ccccn4)cc3)CC2)c1
InChIInChI=1S/C24H23N3O3/c1-30-21-6-4-5-20(17-21)24(29)27-15-13-26(14-16-27)23(28)19-10-8-18(9-11-19)22-7-2-3-12-25-22/h2-12,17H,13-16H2,1H3
InChIKeyIORXBTIJLGQAEJ-UHFFFAOYSA-N
XLogP3.36
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(3-methoxybenzoyl)piperazin-1-yl]-(4-pyridin-2-ylphenyl)methanone 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-(3-methoxybenzoyl)piperazin-1-yl]-(4-pyridin-2-ylphenyl)methanone?
The IUPAC name of [4-(3-methoxybenzoyl)piperazin-1-yl]-(4-pyridin-2-ylphenyl)methanone (CID 122189043) is [4-(3-methoxybenzoyl)piperazin-1-yl]-(4-pyridin-2-ylphenyl)methanone.
What is the SMILES notation for [4-(3-methoxybenzoyl)piperazin-1-yl]-(4-pyridin-2-ylphenyl)methanone?
The canonical SMILES for [4-(3-methoxybenzoyl)piperazin-1-yl]-(4-pyridin-2-ylphenyl)methanone is COc1cccc(C(=O)N2CCN(C(=O)c3ccc(-c4ccccn4)cc3)CC2)c1.
What is the InChIKey of [4-(3-methoxybenzoyl)piperazin-1-yl]-(4-pyridin-2-ylphenyl)methanone?
The InChIKey is IORXBTIJLGQAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-30-21-6-4-5-20(17-21)24(29)27-15-13-26(14-16-27)23(28)19-10-8-18(9-11-19)22-7-2-3-12-25-22/h2-12,17H,13-16H2,1H3.
What are the key properties of [4-(3-methoxybenzoyl)piperazin-1-yl]-(4-pyridin-2-ylphenyl)methanone?
[4-(3-methoxybenzoyl)piperazin-1-yl]-(4-pyridin-2-ylphenyl)methanone has a molecular weight of 401.47 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxybenzoyl)piperazin-1-yl]-(4-pyridin-2-ylphenyl)methanone is sourced from PubChem (CID 122189043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).