2-(2,3-difluorophenyl)-1-[3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone

C17H19F2N3O — CID 70747806

IUPAC2-(2,3-difluorophenyl)-1-[3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
SMILESCn1ccnc1C1CCCN(C(=O)Cc2cccc(F)c2F)C1
InChIInChI=1S/C17H19F2N3O/c1-21-9-7-20-17(21)13-5-3-8-22(11-13)15(23)10-12-4-2-6-14(18)16(12)19/h2,4,6-7,9,13H,3,5,8,10-11H2,1H3
InChIKeyJPKJHVMXADRKOD-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.65
Rot. Bonds3

About 2-(2,3-difluorophenyl)-1-[3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone

2-(2,3-difluorophenyl)-1-[3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 70747806) has the molecular formula C17H19F2N3O and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-1-[3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-1-[3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
PubChem CID70747806
Molecular FormulaC17H19F2N3O
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name2-(2,3-difluorophenyl)-1-[3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
SMILESCn1ccnc1C1CCCN(C(=O)Cc2cccc(F)c2F)C1
InChIInChI=1S/C17H19F2N3O/c1-21-9-7-20-17(21)13-5-3-8-22(11-13)15(23)10-12-4-2-6-14(18)16(12)19/h2,4,6-7,9,13H,3,5,8,10-11H2,1H3
InChIKeyJPKJHVMXADRKOD-UHFFFAOYSA-N
XLogP2.65
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(3-methylsulfanylphenyl)ethanone
CID 96577965
1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(2,3,4-trifluorophenyl)ethanone
CID 72857287
2-(4-methoxyphenyl)-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
CID 96573896
(3S)-1-[2-(2,3-difluorophenyl)acetyl]piperidine-3-carboxylic acid
CID 81126045
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
CID 125156941
2-(4-chlorophenyl)sulfanyl-1-[3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
CID 70756196
2-[2-[3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-phenylcyclopent-2-en-1-one
CID 72884097
1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 125162266
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
CID 98371643
2-(2-fluorophenyl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97272135
1'-[2-(2,3-difluorophenyl)acetyl]-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615743
2-(2,3-difluorophenyl)-1-(3-pyridin-4-ylazetidin-1-yl)ethanone
CID 56911803

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-1-[3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2,3-difluorophenyl)-1-[3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone (CID 70747806) is 2-(2,3-difluorophenyl)-1-[3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2,3-difluorophenyl)-1-[3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2,3-difluorophenyl)-1-[3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone is Cn1ccnc1C1CCCN(C(=O)Cc2cccc(F)c2F)C1.
What is the InChIKey of 2-(2,3-difluorophenyl)-1-[3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is JPKJHVMXADRKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O/c1-21-9-7-20-17(21)13-5-3-8-22(11-13)15(23)10-12-4-2-6-14(18)16(12)19/h2,4,6-7,9,13H,3,5,8,10-11H2,1H3.
What are the key properties of 2-(2,3-difluorophenyl)-1-[3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone?
2-(2,3-difluorophenyl)-1-[3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 319.36 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-1-[3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 70747806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).