2-phenyl-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]butan-1-one

C24H26N4O — CID 56537149

IUPAC2-phenyl-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]butan-1-one
SMILESCCC(C(=O)N1CCN(c2ccnc(-c3ccccc3)n2)CC1)c1ccccc1
InChIInChI=1S/C24H26N4O/c1-2-21(19-9-5-3-6-10-19)24(29)28-17-15-27(16-18-28)22-13-14-25-23(26-22)20-11-7-4-8-12-20/h3-14,21H,2,15-18H2,1H3
InChIKeyFXBINOMENOXDHJ-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.99
Rot. Bonds5

About 2-phenyl-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]butan-1-one

2-phenyl-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]butan-1-one (PubChem CID 56537149) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-phenyl-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-phenyl-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]butan-1-one
PubChem CID56537149
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name2-phenyl-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]butan-1-one
SMILESCCC(C(=O)N1CCN(c2ccnc(-c3ccccc3)n2)CC1)c1ccccc1
InChIInChI=1S/C24H26N4O/c1-2-21(19-9-5-3-6-10-19)24(29)28-17-15-27(16-18-28)22-13-14-25-23(26-22)20-11-7-4-8-12-20/h3-14,21H,2,15-18H2,1H3
InChIKeyFXBINOMENOXDHJ-UHFFFAOYSA-N
XLogP3.99
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one
CID 2970650
N-[(2S)-3-hydroxy-1-oxo-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-2-yl]-2-methylpropanamide
CID 126803903
2-(2-methylphenyl)sulfanyl-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 56537337
1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]-2-propan-2-yloxyethanone
CID 75463330
6-[4-(2-phenylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide
CID 71094905
1-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-phenylbutan-1-one
CID 122343368
2-(N-ethylanilino)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 56537209
N-[1-cyclopentyl-2-oxo-2-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethyl]acetamide
CID 56537176
[4-methylsulfanyl-1-oxo-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]butan-2-yl]urea
CID 56537505
[4-[ethyl(methyl)amino]phenyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56537250
1-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-phenylbutan-1-one
CID 122337670
[4-(ethylsulfanylmethyl)phenyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56537305

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]butan-1-one?
The IUPAC name of 2-phenyl-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]butan-1-one (CID 56537149) is 2-phenyl-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 2-phenyl-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 2-phenyl-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]butan-1-one is CCC(C(=O)N1CCN(c2ccnc(-c3ccccc3)n2)CC1)c1ccccc1.
What is the InChIKey of 2-phenyl-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]butan-1-one?
The InChIKey is FXBINOMENOXDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-2-21(19-9-5-3-6-10-19)24(29)28-17-15-27(16-18-28)22-13-14-25-23(26-22)20-11-7-4-8-12-20/h3-14,21H,2,15-18H2,1H3.
What are the key properties of 2-phenyl-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]butan-1-one?
2-phenyl-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]butan-1-one has a molecular weight of 386.50 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 56537149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).