1-(4-benzylpiperazin-1-yl)-2-phenyl-3-pyridin-2-ylpropan-1-one

C25H27N3O — CID 110411945

IUPAC1-(4-benzylpiperazin-1-yl)-2-phenyl-3-pyridin-2-ylpropan-1-one
SMILESO=C(C(Cc1ccccn1)c1ccccc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H27N3O/c29-25(28-17-15-27(16-18-28)20-21-9-3-1-4-10-21)24(22-11-5-2-6-12-22)19-23-13-7-8-14-26-23/h1-14,24H,15-20H2
InChIKeyZBNPNOUAAHUHSM-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.75
Rot. Bonds6

About 1-(4-benzylpiperazin-1-yl)-2-phenyl-3-pyridin-2-ylpropan-1-one

1-(4-benzylpiperazin-1-yl)-2-phenyl-3-pyridin-2-ylpropan-1-one (PubChem CID 110411945) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-2-phenyl-3-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-2-phenyl-3-pyridin-2-ylpropan-1-one
PubChem CID110411945
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC Name1-(4-benzylpiperazin-1-yl)-2-phenyl-3-pyridin-2-ylpropan-1-one
SMILESO=C(C(Cc1ccccn1)c1ccccc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H27N3O/c29-25(28-17-15-27(16-18-28)20-21-9-3-1-4-10-21)24(22-11-5-2-6-12-22)19-23-13-7-8-14-26-23/h1-14,24H,15-20H2
InChIKeyZBNPNOUAAHUHSM-UHFFFAOYSA-N
XLogP3.75
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-phenyl-3-pyridin-2-ylpropan-1-one
CID 110408656
2-chloro-2-fluoro-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 166427945
3,3-diphenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 14960357
1-(4-benzylpiperazin-1-yl)-2-phenylpropan-1-one
CID 71304914
(2S)-2-amino-1-(4-benzylpiperazin-1-yl)-2-phenylethanone;dihydrochloride
CID 171689425
4-[(4-benzylpiperazin-1-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 46055500
1-(4-benzylpiperazin-1-yl)-2-cyclopropyl-2-phenylethanone
CID 110411985
2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 46488455
(4-benzylpiperazin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone
CID 4551047
1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one
CID 71449759
1-(4-benzylpiperazin-1-yl)-2-ethylbutan-1-one
CID 1092017
3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 62230248

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-phenyl-3-pyridin-2-ylpropan-1-one?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-phenyl-3-pyridin-2-ylpropan-1-one (CID 110411945) is 1-(4-benzylpiperazin-1-yl)-2-phenyl-3-pyridin-2-ylpropan-1-one.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-2-phenyl-3-pyridin-2-ylpropan-1-one?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-2-phenyl-3-pyridin-2-ylpropan-1-one is O=C(C(Cc1ccccn1)c1ccccc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-2-phenyl-3-pyridin-2-ylpropan-1-one?
The InChIKey is ZBNPNOUAAHUHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O/c29-25(28-17-15-27(16-18-28)20-21-9-3-1-4-10-21)24(22-11-5-2-6-12-22)19-23-13-7-8-14-26-23/h1-14,24H,15-20H2.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-2-phenyl-3-pyridin-2-ylpropan-1-one?
1-(4-benzylpiperazin-1-yl)-2-phenyl-3-pyridin-2-ylpropan-1-one has a molecular weight of 385.51 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-2-phenyl-3-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 110411945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).