1-phenyl-3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]propan-1-one

C23H24N4O — CID 177471870

IUPAC1-phenyl-3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]propan-1-one
SMILESO=C(CCc1ccc(N2CCN(c3ncccn3)CC2)cc1)c1ccccc1
InChIInChI=1S/C23H24N4O/c28-22(20-5-2-1-3-6-20)12-9-19-7-10-21(11-8-19)26-15-17-27(18-16-26)23-24-13-4-14-25-23/h1-8,10-11,13-14H,9,12,15-18H2
InChIKeyRCQVMFXXZHFPBV-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.62
Rot. Bonds6

About 1-phenyl-3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]propan-1-one

1-phenyl-3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]propan-1-one (PubChem CID 177471870) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-phenyl-3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-phenyl-3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]propan-1-one
PubChem CID177471870
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name1-phenyl-3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]propan-1-one
SMILESO=C(CCc1ccc(N2CCN(c3ncccn3)CC2)cc1)c1ccccc1
InChIInChI=1S/C23H24N4O/c28-22(20-5-2-1-3-6-20)12-9-19-7-10-21(11-8-19)26-15-17-27(18-16-26)23-24-13-4-14-25-23/h1-8,10-11,13-14H,9,12,15-18H2
InChIKeyRCQVMFXXZHFPBV-UHFFFAOYSA-N
XLogP3.62
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-oxo-4-[4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]phenyl]butanoic acid
CID 14423695
2-(4-morpholin-4-ylphenyl)-1-phenylethanone
CID 22052973
1-(4-phenylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 15950997
3-(4-bromophenyl)-1-(4-morpholin-4-ylphenyl)propan-1-one
CID 91755643
N-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 35560039
(4-pyrimidin-2-ylpiperazin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone
CID 110295154
3-phenyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]propanamide
CID 113043924
3-(2-phenylethylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 109024262
2-[4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]piperazin-1-yl]pyrimidine
CID 59230378
1-(4-methylphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,4-dione
CID 26758333
2-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine
CID 47439803
phenyl-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone
CID 39998474

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]propan-1-one?
The IUPAC name of 1-phenyl-3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]propan-1-one (CID 177471870) is 1-phenyl-3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]propan-1-one.
What is the SMILES notation for 1-phenyl-3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]propan-1-one?
The canonical SMILES for 1-phenyl-3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]propan-1-one is O=C(CCc1ccc(N2CCN(c3ncccn3)CC2)cc1)c1ccccc1.
What is the InChIKey of 1-phenyl-3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]propan-1-one?
The InChIKey is RCQVMFXXZHFPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c28-22(20-5-2-1-3-6-20)12-9-19-7-10-21(11-8-19)26-15-17-27(18-16-26)23-24-13-4-14-25-23/h1-8,10-11,13-14H,9,12,15-18H2.
What are the key properties of 1-phenyl-3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]propan-1-one?
1-phenyl-3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]propan-1-one has a molecular weight of 372.47 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]propan-1-one is sourced from PubChem (CID 177471870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).