[4-(3-chlorophenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C21H19ClN4O — CID 15950719

IUPAC[4-(3-chlorophenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(-c2cccc(Cl)c2)cc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C21H19ClN4O/c22-19-4-1-3-18(15-19)16-5-7-17(8-6-16)20(27)25-11-13-26(14-12-25)21-23-9-2-10-24-21/h1-10,15H,11-14H2
InChIKeyFORKQRVCGPWUGQ-UHFFFAOYSA-N
MW378.86 g/mol
LogP3.76
Rot. Bonds3

About [4-(3-chlorophenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

[4-(3-chlorophenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 15950719) has the molecular formula C21H19ClN4O and a molecular weight of 378.86 g/mol. Its IUPAC name is [4-(3-chlorophenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID15950719
Molecular FormulaC21H19ClN4O
Molecular Weight378.86 g/mol
Exact Mass378.12
IUPAC Name[4-(3-chlorophenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(-c2cccc(Cl)c2)cc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C21H19ClN4O/c22-19-4-1-3-18(15-19)16-5-7-17(8-6-16)20(27)25-11-13-26(14-12-25)21-23-9-2-10-24-21/h1-10,15H,11-14H2
InChIKeyFORKQRVCGPWUGQ-UHFFFAOYSA-N
XLogP3.76
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(3-chlorophenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-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

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [4-(3-chlorophenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 15950719) is [4-(3-chlorophenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(3-chlorophenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(3-chlorophenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C(c1ccc(-c2cccc(Cl)c2)cc1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of [4-(3-chlorophenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is FORKQRVCGPWUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O/c22-19-4-1-3-18(15-19)16-5-7-17(8-6-16)20(27)25-11-13-26(14-12-25)21-23-9-2-10-24-21/h1-10,15H,11-14H2.
What are the key properties of [4-(3-chlorophenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
[4-(3-chlorophenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 378.86 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 15950719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).