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

C18H20FN3O2 — CID 120731152

IUPAC2-(3-fluoro-4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
SMILESCOc1ccc(CC(=O)N2CCNCC2c2cccnc2)cc1F
InChIInChI=1S/C18H20FN3O2/c1-24-17-5-4-13(9-15(17)19)10-18(23)22-8-7-21-12-16(22)14-3-2-6-20-11-14/h2-6,9,11,16,21H,7-8,10,12H2,1H3
InChIKeyCKNQBSNLHWEGDL-UHFFFAOYSA-N
MW329.38 g/mol
LogP1.94
Rot. Bonds4

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

2-(3-fluoro-4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone (PubChem CID 120731152) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
PubChem CID120731152
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
SMILESCOc1ccc(CC(=O)N2CCNCC2c2cccnc2)cc1F
InChIInChI=1S/C18H20FN3O2/c1-24-17-5-4-13(9-15(17)19)10-18(23)22-8-7-21-12-16(22)14-3-2-6-20-11-14/h2-6,9,11,16,21H,7-8,10,12H2,1H3
InChIKeyCKNQBSNLHWEGDL-UHFFFAOYSA-N
XLogP1.94
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120731250
3-(3-chloro-4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120732081
4-(3,4-difluorophenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120728910
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(3-fluoro-4-methoxyphenyl)ethanone;hydrochloride
CID 120739203
2-(4-butylphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120730121
3-(4-chlorophenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120732059
1-[2-(3-chlorophenyl)piperazin-1-yl]-3-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 120802618
4-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one
CID 120729213
(3,5-dimethoxy-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731703
3-(2-fluorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120731728
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 120802446
3-(4-bromophenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120730560

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone (CID 120731152) is 2-(3-fluoro-4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone is COc1ccc(CC(=O)N2CCNCC2c2cccnc2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone?
The InChIKey is CKNQBSNLHWEGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-24-17-5-4-13(9-15(17)19)10-18(23)22-8-7-21-12-16(22)14-3-2-6-20-11-14/h2-6,9,11,16,21H,7-8,10,12H2,1H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone?
2-(3-fluoro-4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone has a molecular weight of 329.38 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 120731152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).