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

C23H24N4O — CID 15950791

IUPAC[4-(4-ethylphenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCCc1ccc(-c2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2)cc1
InChIInChI=1S/C23H24N4O/c1-2-18-4-6-19(7-5-18)20-8-10-21(11-9-20)22(28)26-14-16-27(17-15-26)23-24-12-3-13-25-23/h3-13H,2,14-17H2,1H3
InChIKeyNGKVENZQSVABNT-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.67
Rot. Bonds4

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

[4-(4-ethylphenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 15950791) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is [4-(4-ethylphenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(4-ethylphenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID15950791
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name[4-(4-ethylphenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCCc1ccc(-c2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2)cc1
InChIInChI=1S/C23H24N4O/c1-2-18-4-6-19(7-5-18)20-8-10-21(11-9-20)22(28)26-14-16-27(17-15-26)23-24-12-3-13-25-23/h3-13H,2,14-17H2,1H3
InChIKeyNGKVENZQSVABNT-UHFFFAOYSA-N
XLogP3.67
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-ethylphenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [4-(4-ethylphenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 15950791) is [4-(4-ethylphenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(4-ethylphenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(4-ethylphenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is CCc1ccc(-c2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2)cc1.
What is the InChIKey of [4-(4-ethylphenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is NGKVENZQSVABNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-2-18-4-6-19(7-5-18)20-8-10-21(11-9-20)22(28)26-14-16-27(17-15-26)23-24-12-3-13-25-23/h3-13H,2,14-17H2,1H3.
What are the key properties of [4-(4-ethylphenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
[4-(4-ethylphenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 372.47 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethylphenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 15950791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).