3,3-diphenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one

C25H27N3O — CID 14960357

IUPAC3,3-diphenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one
SMILESO=C(CC(c1ccccc1)c1ccccc1)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C25H27N3O/c29-25(28-17-15-27(16-18-28)20-23-13-7-8-14-26-23)19-24(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,24H,15-20H2
InChIKeyDYBZZIRKHBMPMP-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.95
Rot. Bonds6

About 3,3-diphenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one

3,3-diphenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one (PubChem CID 14960357) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is 3,3-diphenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3,3-diphenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one
PubChem CID14960357
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC Name3,3-diphenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one
SMILESO=C(CC(c1ccccc1)c1ccccc1)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C25H27N3O/c29-25(28-17-15-27(16-18-28)20-23-13-7-8-14-26-23)19-24(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,24H,15-20H2
InChIKeyDYBZZIRKHBMPMP-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 62230248
2-(methylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 54869774
2-(cyclopropylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 60938982
1-[3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]pyrazole-3-carboxylic acid
CID 19470852
2-chloro-2-fluoro-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 166427945
5-amino-4-methyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pentan-1-one
CID 82013925
3-benzylsulfanyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 90650755
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 67588371
1-(4-benzylpiperazin-1-yl)-2-phenyl-3-pyridin-2-ylpropan-1-one
CID 110411945
2-(2-aminoethoxy)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 79473756
(3S)-3-(2-methylimidazol-1-yl)-1-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]butan-1-one
CID 125158470
(3R)-3-(2-methylimidazol-1-yl)-1-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]butan-1-one
CID 125158473

Frequently Asked Questions

What is the IUPAC name of 3,3-diphenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3,3-diphenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one (CID 14960357) is 3,3-diphenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3,3-diphenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3,3-diphenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one is O=C(CC(c1ccccc1)c1ccccc1)N1CCN(Cc2ccccn2)CC1.
What is the InChIKey of 3,3-diphenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one?
The InChIKey is DYBZZIRKHBMPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O/c29-25(28-17-15-27(16-18-28)20-23-13-7-8-14-26-23)19-24(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,24H,15-20H2.
What are the key properties of 3,3-diphenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one?
3,3-diphenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one has a molecular weight of 385.51 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 14960357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).