1-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]ethanone

C18H19N3O2 — CID 667603

IUPAC1-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3cccnc3)CC2)cc1
InChIInChI=1S/C18H19N3O2/c1-14(22)15-4-6-17(7-5-15)20-9-11-21(12-10-20)18(23)16-3-2-8-19-13-16/h2-8,13H,9-12H2,1H3
InChIKeyBJCDTOAABAWUHW-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.25
Rot. Bonds3

About 1-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]ethanone

1-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]ethanone (PubChem CID 667603) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]ethanone
PubChem CID667603
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name1-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3cccnc3)CC2)cc1
InChIInChI=1S/C18H19N3O2/c1-14(22)15-4-6-17(7-5-15)20-9-11-21(12-10-20)18(23)16-3-2-8-19-13-16/h2-8,13H,9-12H2,1H3
InChIKeyBJCDTOAABAWUHW-UHFFFAOYSA-N
XLogP2.25
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]ethanone (CID 667603) is 1-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]ethanone is CC(=O)c1ccc(N2CCN(C(=O)c3cccnc3)CC2)cc1.
What is the InChIKey of 1-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]ethanone?
The InChIKey is BJCDTOAABAWUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-14(22)15-4-6-17(7-5-15)20-9-11-21(12-10-20)18(23)16-3-2-8-19-13-16/h2-8,13H,9-12H2,1H3.
What are the key properties of 1-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]ethanone?
1-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]ethanone has a molecular weight of 309.37 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 667603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).