4-[(3S)-3-(2,5-difluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one

C18H18F2N2O2 — CID 99833065

IUPAC4-[(3S)-3-(2,5-difluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1ccc(C(=O)N2CCC[C@@H](c3cc(F)ccc3F)C2)cc1=O
InChIInChI=1S/C18H18F2N2O2/c1-21-8-6-12(9-17(21)23)18(24)22-7-2-3-13(11-22)15-10-14(19)4-5-16(15)20/h4-6,8-10,13H,2-3,7,11H2,1H3/t13-/m1/s1
InChIKeyLAYKRCJEANCEBA-CYBMUJFWSA-N
MW332.35 g/mol
LogP2.68
Rot. Bonds2

About 4-[(3S)-3-(2,5-difluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one

4-[(3S)-3-(2,5-difluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 99833065) has the molecular formula C18H18F2N2O2 and a molecular weight of 332.35 g/mol. Its IUPAC name is 4-[(3S)-3-(2,5-difluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[(3S)-3-(2,5-difluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
PubChem CID99833065
Molecular FormulaC18H18F2N2O2
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name4-[(3S)-3-(2,5-difluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1ccc(C(=O)N2CCC[C@@H](c3cc(F)ccc3F)C2)cc1=O
InChIInChI=1S/C18H18F2N2O2/c1-21-8-6-12(9-17(21)23)18(24)22-7-2-3-13(11-22)15-10-14(19)4-5-16(15)20/h4-6,8-10,13H,2-3,7,11H2,1H3/t13-/m1/s1
InChIKeyLAYKRCJEANCEBA-CYBMUJFWSA-N
XLogP2.68
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methoxypiperidine-1-carbonyl)-1-methylpyridin-2-one
CID 113231198
4-[3-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 103793640
4-[3-(2,5-difluorophenyl)piperidine-1-carbonyl]-1H-pyrrole-2-carbonitrile
CID 126811571
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 103793684
4-(3-ethoxypiperidine-1-carbonyl)-1-methylpyridin-2-one
CID 47736704
4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 79411364
4-(4-amino-3-methylpiperidine-1-carbonyl)-1-methylpyridin-2-one
CID 113263748
4-[3-(diethylamino)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 103709456
4-[1-(4-fluoro-3-methylbenzoyl)piperidin-4-yl]-1-methylpyridin-2-one
CID 137345836
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
1-methyl-4-[2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carbonyl]pyridin-2-one
CID 167791427
(4-fluorophenyl)-[3-(4-fluorophenyl)piperidin-1-yl]methanone
CID 70334763

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-(2,5-difluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 4-[(3S)-3-(2,5-difluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one (CID 99833065) is 4-[(3S)-3-(2,5-difluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[(3S)-3-(2,5-difluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[(3S)-3-(2,5-difluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one is Cn1ccc(C(=O)N2CCC[C@@H](c3cc(F)ccc3F)C2)cc1=O.
What is the InChIKey of 4-[(3S)-3-(2,5-difluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
The InChIKey is LAYKRCJEANCEBA-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18F2N2O2/c1-21-8-6-12(9-17(21)23)18(24)22-7-2-3-13(11-22)15-10-14(19)4-5-16(15)20/h4-6,8-10,13H,2-3,7,11H2,1H3/t13-/m1/s1.
What are the key properties of 4-[(3S)-3-(2,5-difluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
4-[(3S)-3-(2,5-difluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one has a molecular weight of 332.35 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-(2,5-difluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 99833065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).