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

C21H19ClN4O — CID 15951123

IUPAC[4-(4-chlorophenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(-c2ccc(Cl)cc2)cc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C21H19ClN4O/c22-19-8-6-17(7-9-19)16-2-4-18(5-3-16)20(27)25-12-14-26(15-13-25)21-23-10-1-11-24-21/h1-11H,12-15H2
InChIKeyVOBNLGLHGGPWRR-UHFFFAOYSA-N
MW378.86 g/mol
LogP3.76
Rot. Bonds3

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

[4-(4-chlorophenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 15951123) has the molecular formula C21H19ClN4O and a molecular weight of 378.86 g/mol. Its IUPAC name is [4-(4-chlorophenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID15951123
Molecular FormulaC21H19ClN4O
Molecular Weight378.86 g/mol
Exact Mass378.12
IUPAC Name[4-(4-chlorophenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(-c2ccc(Cl)cc2)cc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C21H19ClN4O/c22-19-8-6-17(7-9-19)16-2-4-18(5-3-16)20(27)25-12-14-26(15-13-25)21-23-10-1-11-24-21/h1-11H,12-15H2
InChIKeyVOBNLGLHGGPWRR-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

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Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [4-(4-chlorophenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 15951123) is [4-(4-chlorophenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(4-chlorophenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(4-chlorophenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C(c1ccc(-c2ccc(Cl)cc2)cc1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of [4-(4-chlorophenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is VOBNLGLHGGPWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O/c22-19-8-6-17(7-9-19)16-2-4-18(5-3-16)20(27)25-12-14-26(15-13-25)21-23-10-1-11-24-21/h1-11H,12-15H2.
What are the key properties of [4-(4-chlorophenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
[4-(4-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-(4-chlorophenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 15951123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).