(1-methylpyrrol-3-yl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone

C23H23N3O2 — CID 110803225

IUPAC(1-methylpyrrol-3-yl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone
SMILESCn1ccc(C(=O)N2CCN(C(=O)c3cccc(-c4ccccc4)c3)CC2)c1
InChIInChI=1S/C23H23N3O2/c1-24-11-10-21(17-24)23(28)26-14-12-25(13-15-26)22(27)20-9-5-8-19(16-20)18-6-3-2-4-7-18/h2-11,16-17H,12-15H2,1H3
InChIKeyIHBDIZRFEKJGBU-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.29
Rot. Bonds3

About (1-methylpyrrol-3-yl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone

(1-methylpyrrol-3-yl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone (PubChem CID 110803225) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is (1-methylpyrrol-3-yl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrrol-3-yl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone
PubChem CID110803225
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name(1-methylpyrrol-3-yl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone
SMILESCn1ccc(C(=O)N2CCN(C(=O)c3cccc(-c4ccccc4)c3)CC2)c1
InChIInChI=1S/C23H23N3O2/c1-24-11-10-21(17-24)23(28)26-14-12-25(13-15-26)22(27)20-9-5-8-19(16-20)18-6-3-2-4-7-18/h2-11,16-17H,12-15H2,1H3
InChIKeyIHBDIZRFEKJGBU-UHFFFAOYSA-N
XLogP3.29
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1-methylpyrrol-3-yl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(3-phenylbenzoyl)piperazin-1-yl]ethanone
CID 110755413
(3-fluorophenyl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone
CID 110365297
(1-oxo-1,4-thiazinan-4-yl)-(3-phenylphenyl)methanone
CID 110721543
[3-(3-methylphenyl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 71690161
[4-(3-methylphenyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone
CID 110762685
(4-methoxypiperidin-1-yl)-(3-phenylphenyl)methanone
CID 110725293
[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 110803075
azepan-1-yl-[3-(4-methylphenyl)phenyl]methanone
CID 126484488
cyclobutyl-[4-(3-phenylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110798986
[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254
(4-benzylsulfonylpiperazin-1-yl)-(1-methylpyrrol-3-yl)methanone
CID 110805281
[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110815355

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrol-3-yl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone?
The IUPAC name of (1-methylpyrrol-3-yl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone (CID 110803225) is (1-methylpyrrol-3-yl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrrol-3-yl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for (1-methylpyrrol-3-yl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone is Cn1ccc(C(=O)N2CCN(C(=O)c3cccc(-c4ccccc4)c3)CC2)c1.
What is the InChIKey of (1-methylpyrrol-3-yl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone?
The InChIKey is IHBDIZRFEKJGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-24-11-10-21(17-24)23(28)26-14-12-25(13-15-26)22(27)20-9-5-8-19(16-20)18-6-3-2-4-7-18/h2-11,16-17H,12-15H2,1H3.
What are the key properties of (1-methylpyrrol-3-yl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone?
(1-methylpyrrol-3-yl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone has a molecular weight of 373.46 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrol-3-yl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110803225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).