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

C25H27N3O — CID 10045642

IUPAC3,3-diphenyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
SMILESO=C(CC(c1ccccc1)c1ccccc1)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C25H27N3O/c29-25(28-16-14-27(15-17-28)20-21-8-7-13-26-19-21)18-24(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-13,19,24H,14-18,20H2
InChIKeyGJDOBZATTIEGBR-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.95
Rot. Bonds6

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

3,3-diphenyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one (PubChem CID 10045642) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is 3,3-diphenyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3,3-diphenyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
PubChem CID10045642
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC Name3,3-diphenyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
SMILESO=C(CC(c1ccccc1)c1ccccc1)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C25H27N3O/c29-25(28-16-14-27(15-17-28)20-21-8-7-13-26-19-21)18-24(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-13,19,24H,14-18,20H2
InChIKeyGJDOBZATTIEGBR-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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Frequently Asked Questions

What is the IUPAC name of 3,3-diphenyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3,3-diphenyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one (CID 10045642) is 3,3-diphenyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3,3-diphenyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3,3-diphenyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one is O=C(CC(c1ccccc1)c1ccccc1)N1CCN(Cc2cccnc2)CC1.
What is the InChIKey of 3,3-diphenyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one?
The InChIKey is GJDOBZATTIEGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O/c29-25(28-16-14-27(15-17-28)20-21-8-7-13-26-19-21)18-24(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-13,19,24H,14-18,20H2.
What are the key properties of 3,3-diphenyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one?
3,3-diphenyl-1-[4-(pyridin-3-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-3-ylmethyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 10045642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).