2,3-diphenyl-1-piperazin-1-ylpropan-1-one

C19H22N2O — CID 57105688

IUPAC2,3-diphenyl-1-piperazin-1-ylpropan-1-one
SMILESO=C(C(Cc1ccccc1)c1ccccc1)N1CCNCC1
InChIInChI=1S/C19H22N2O/c22-19(21-13-11-20-12-14-21)18(17-9-5-2-6-10-17)15-16-7-3-1-4-8-16/h1-10,18,20H,11-15H2
InChIKeyGCBDZIKBQXLFFR-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.44
Rot. Bonds4

About 2,3-diphenyl-1-piperazin-1-ylpropan-1-one

2,3-diphenyl-1-piperazin-1-ylpropan-1-one (PubChem CID 57105688) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 2,3-diphenyl-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name2,3-diphenyl-1-piperazin-1-ylpropan-1-one
PubChem CID57105688
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name2,3-diphenyl-1-piperazin-1-ylpropan-1-one
SMILESO=C(C(Cc1ccccc1)c1ccccc1)N1CCNCC1
InChIInChI=1S/C19H22N2O/c22-19(21-13-11-20-12-14-21)18(17-9-5-2-6-10-17)15-16-7-3-1-4-8-16/h1-10,18,20H,11-15H2
InChIKeyGCBDZIKBQXLFFR-UHFFFAOYSA-N
XLogP2.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(2R)-2-amino-1-(1,4-diazepan-1-yl)-3-phenylpropan-1-one
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N-(1-oxo-3-phenyl-1-piperazin-1-ylpropan-2-yl)benzamide
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3-methyl-2-phenyl-1-piperazin-1-ylbutan-1-one
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2-phenyl-1-piperazin-1-ylpropan-1-one
CID 52983882
(2R)-2-benzyl-3-methyl-1-piperazin-1-ylpentan-1-one
CID 170050740
3-(4-hydroxyphenyl)-2-phenyl-1-thiomorpholin-4-ylpropan-1-one
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2-hydrazinyl-2-phenyl-1-piperazin-1-ylethanone
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(2S)-3-phenyl-2-(piperazin-1-ylamino)propanoic acid
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Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 2,3-diphenyl-1-piperazin-1-ylpropan-1-one (CID 57105688) is 2,3-diphenyl-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 2,3-diphenyl-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 2,3-diphenyl-1-piperazin-1-ylpropan-1-one is O=C(C(Cc1ccccc1)c1ccccc1)N1CCNCC1.
What is the InChIKey of 2,3-diphenyl-1-piperazin-1-ylpropan-1-one?
The InChIKey is GCBDZIKBQXLFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c22-19(21-13-11-20-12-14-21)18(17-9-5-2-6-10-17)15-16-7-3-1-4-8-16/h1-10,18,20H,11-15H2.
What are the key properties of 2,3-diphenyl-1-piperazin-1-ylpropan-1-one?
2,3-diphenyl-1-piperazin-1-ylpropan-1-one has a molecular weight of 294.40 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 57105688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).