2-(4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone

C18H21N3O2 — CID 120731250

IUPAC2-(4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
SMILESCOc1ccc(CC(=O)N2CCNCC2c2cccnc2)cc1
InChIInChI=1S/C18H21N3O2/c1-23-16-6-4-14(5-7-16)11-18(22)21-10-9-20-13-17(21)15-3-2-8-19-12-15/h2-8,12,17,20H,9-11,13H2,1H3
InChIKeyRQPMJRIDBLHWAA-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.81
Rot. Bonds4

About 2-(4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone

2-(4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone (PubChem CID 120731250) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
PubChem CID120731250
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name2-(4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
SMILESCOc1ccc(CC(=O)N2CCNCC2c2cccnc2)cc1
InChIInChI=1S/C18H21N3O2/c1-23-16-6-4-14(5-7-16)11-18(22)21-10-9-20-13-17(21)15-3-2-8-19-12-15/h2-8,12,17,20H,9-11,13H2,1H3
InChIKeyRQPMJRIDBLHWAA-UHFFFAOYSA-N
XLogP1.81
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-1-(2-phenylpiperazin-1-yl)ethanone
CID 110109133
2-(3-fluoro-4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120731152
2-(4-butylphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120730121
1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 124958227
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 120737106
1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768234
3-naphthalen-2-yl-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120732001
4-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one
CID 120729213
2-(4-ethoxyphenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120732198
3-(4-chlorophenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120732059
3-(4-bromophenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120730560
3-(3-chloro-4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120732081

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone (CID 120731250) is 2-(4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone is COc1ccc(CC(=O)N2CCNCC2c2cccnc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone?
The InChIKey is RQPMJRIDBLHWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-23-16-6-4-14(5-7-16)11-18(22)21-10-9-20-13-17(21)15-3-2-8-19-12-15/h2-8,12,17,20H,9-11,13H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone?
2-(4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone has a molecular weight of 311.39 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 120731250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).