2-phenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone

C18H21N3O — CID 695027

IUPAC2-phenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C18H21N3O/c22-18(14-16-6-2-1-3-7-16)21-12-10-20(11-13-21)15-17-8-4-5-9-19-17/h1-9H,10-15H2
InChIKeyZFOLEDDKBOAKBY-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.97
Rot. Bonds4

About 2-phenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone

2-phenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 695027) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-phenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
PubChem CID695027
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name2-phenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C18H21N3O/c22-18(14-16-6-2-1-3-7-16)21-12-10-20(11-13-21)15-17-8-4-5-9-19-17/h1-9H,10-15H2
InChIKeyZFOLEDDKBOAKBY-UHFFFAOYSA-N
XLogP1.97
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-phenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone (CID 695027) is 2-phenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-phenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-phenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone is O=C(Cc1ccccc1)N1CCN(Cc2ccccn2)CC1.
What is the InChIKey of 2-phenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is ZFOLEDDKBOAKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c22-18(14-16-6-2-1-3-7-16)21-12-10-20(11-13-21)15-17-8-4-5-9-19-17/h1-9H,10-15H2.
What are the key properties of 2-phenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone?
2-phenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 295.39 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 695027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).