2-(4-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

C18H21N3O2 — CID 695685

IUPAC2-(4-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCOc1ccc(CC(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C18H21N3O2/c1-23-16-7-5-15(6-8-16)14-18(22)21-12-10-20(11-13-21)17-4-2-3-9-19-17/h2-9H,10-14H2,1H3
InChIKeyFXBUIQXTDRWUKN-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.98
Rot. Bonds4

About 2-(4-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

2-(4-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (PubChem CID 695685) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
PubChem CID695685
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name2-(4-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCOc1ccc(CC(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C18H21N3O2/c1-23-16-7-5-15(6-8-16)14-18(22)21-12-10-20(11-13-21)17-4-2-3-9-19-17/h2-9H,10-14H2,1H3
InChIKeyFXBUIQXTDRWUKN-UHFFFAOYSA-N
XLogP1.98
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (CID 695685) is 2-(4-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is COc1ccc(CC(=O)N2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is FXBUIQXTDRWUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-23-16-7-5-15(6-8-16)14-18(22)21-12-10-20(11-13-21)17-4-2-3-9-19-17/h2-9H,10-14H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
2-(4-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 311.39 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 695685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).