[4-(3-methoxybenzoyl)piperazin-1-yl]-[4-(6-methyl-3-pyridinyl)phenyl]methanone

C25H25N3O3 — CID 122189057

IUPAC[4-(3-methoxybenzoyl)piperazin-1-yl]-[4-(6-methyl-3-pyridinyl)phenyl]methanone
SMILESCOc1cccc(C(=O)N2CCN(C(=O)c3ccc(-c4ccc(C)nc4)cc3)CC2)c1
InChIInChI=1S/C25H25N3O3/c1-18-6-7-22(17-26-18)19-8-10-20(11-9-19)24(29)27-12-14-28(15-13-27)25(30)21-4-3-5-23(16-21)31-2/h3-11,16-17H,12-15H2,1-2H3
InChIKeyGPBIUFSBAGPHFC-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.66
Rot. Bonds4

About [4-(3-methoxybenzoyl)piperazin-1-yl]-[4-(6-methyl-3-pyridinyl)phenyl]methanone

[4-(3-methoxybenzoyl)piperazin-1-yl]-[4-(6-methyl-3-pyridinyl)phenyl]methanone (PubChem CID 122189057) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is [4-(3-methoxybenzoyl)piperazin-1-yl]-[4-(6-methyl-3-pyridinyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(3-methoxybenzoyl)piperazin-1-yl]-[4-(6-methyl-3-pyridinyl)phenyl]methanone
PubChem CID122189057
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name[4-(3-methoxybenzoyl)piperazin-1-yl]-[4-(6-methyl-3-pyridinyl)phenyl]methanone
SMILESCOc1cccc(C(=O)N2CCN(C(=O)c3ccc(-c4ccc(C)nc4)cc3)CC2)c1
InChIInChI=1S/C25H25N3O3/c1-18-6-7-22(17-26-18)19-8-10-20(11-9-19)24(29)27-12-14-28(15-13-27)25(30)21-4-3-5-23(16-21)31-2/h3-11,16-17H,12-15H2,1-2H3
InChIKeyGPBIUFSBAGPHFC-UHFFFAOYSA-N
XLogP3.66
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(3-methoxybenzoyl)piperazin-1-yl]-[4-(6-methyl-3-pyridinyl)phenyl]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-(6-methyl-3-pyridinyl)phenyl]methanone?
The IUPAC name of [4-(3-methoxybenzoyl)piperazin-1-yl]-[4-(6-methyl-3-pyridinyl)phenyl]methanone (CID 122189057) is [4-(3-methoxybenzoyl)piperazin-1-yl]-[4-(6-methyl-3-pyridinyl)phenyl]methanone.
What is the SMILES notation for [4-(3-methoxybenzoyl)piperazin-1-yl]-[4-(6-methyl-3-pyridinyl)phenyl]methanone?
The canonical SMILES for [4-(3-methoxybenzoyl)piperazin-1-yl]-[4-(6-methyl-3-pyridinyl)phenyl]methanone is COc1cccc(C(=O)N2CCN(C(=O)c3ccc(-c4ccc(C)nc4)cc3)CC2)c1.
What is the InChIKey of [4-(3-methoxybenzoyl)piperazin-1-yl]-[4-(6-methyl-3-pyridinyl)phenyl]methanone?
The InChIKey is GPBIUFSBAGPHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-18-6-7-22(17-26-18)19-8-10-20(11-9-19)24(29)27-12-14-28(15-13-27)25(30)21-4-3-5-23(16-21)31-2/h3-11,16-17H,12-15H2,1-2H3.
What are the key properties of [4-(3-methoxybenzoyl)piperazin-1-yl]-[4-(6-methyl-3-pyridinyl)phenyl]methanone?
[4-(3-methoxybenzoyl)piperazin-1-yl]-[4-(6-methyl-3-pyridinyl)phenyl]methanone has a molecular weight of 415.49 g/mol, XLogP of 3.66, 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-(6-methyl-3-pyridinyl)phenyl]methanone is sourced from PubChem (CID 122189057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).