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

C24H25N3O — CID 1131684

IUPAC2,2-diphenyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C24H25N3O/c28-24(23(21-9-3-1-4-10-21)22-11-5-2-6-12-22)27-16-14-26(15-17-27)19-20-8-7-13-25-18-20/h1-13,18,23H,14-17,19H2
InChIKeyOOSTYSLVBIYRQX-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.56
Rot. Bonds5

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

2,2-diphenyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 1131684) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is 2,2-diphenyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2,2-diphenyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
PubChem CID1131684
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name2,2-diphenyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C24H25N3O/c28-24(23(21-9-3-1-4-10-21)22-11-5-2-6-12-22)27-16-14-26(15-17-27)19-20-8-7-13-25-18-20/h1-13,18,23H,14-17,19H2
InChIKeyOOSTYSLVBIYRQX-UHFFFAOYSA-N
XLogP3.56
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2,2-diphenyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone (CID 1131684) is 2,2-diphenyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2,2-diphenyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2,2-diphenyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone is O=C(C(c1ccccc1)c1ccccc1)N1CCN(Cc2cccnc2)CC1.
What is the InChIKey of 2,2-diphenyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is OOSTYSLVBIYRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c28-24(23(21-9-3-1-4-10-21)22-11-5-2-6-12-22)27-16-14-26(15-17-27)19-20-8-7-13-25-18-20/h1-13,18,23H,14-17,19H2.
What are the key properties of 2,2-diphenyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone?
2,2-diphenyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 371.48 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 1131684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).