6-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-2-one

C12H13F3N2O2 — CID 107262003

IUPAC6-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1cccc(=O)[nH]1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)8-4-6-17(7-5-8)11(19)9-2-1-3-10(18)16-9/h1-3,8H,4-7H2,(H,16,18)
InChIKeyXYOBAGRLZYYTFP-UHFFFAOYSA-N
MW274.24 g/mol
LogP1.79
Rot. Bonds1

About 6-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-2-one

6-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 107262003) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is 6-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID107262003
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name6-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1cccc(=O)[nH]1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)8-4-6-17(7-5-8)11(19)9-2-1-3-10(18)16-9/h1-3,8H,4-7H2,(H,16,18)
InChIKeyXYOBAGRLZYYTFP-UHFFFAOYSA-N
XLogP1.79
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide
CID 72046372
1-Methyl-3-(piperidin-4-ylmethylamino)pyridin-2-one
CID 171346454
N-(1-ethyl-6-oxo-3-pyridinyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 71849994
3-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-6-oxo-1H-pyridine-2-carboxamide
CID 134434619
1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one
CID 137449097
1-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one
CID 137457237
1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one
CID 137457655
1-(3,3-Difluoro-1-methylpiperidin-4-yl)-3-(propan-2-ylamino)pyridin-2-one
CID 137457659
N-(1-ethyl-6-oxo-3-pyridinyl)-4-(trifluoromethyl)piperidine-2-carboxamide
CID 146323243
N-(1-ethyl-6-oxo-3-pyridinyl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 146323245
1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-3-(ethylamino)pyridin-2-one
CID 148924042
N-(1-ethyl-6-oxo-3-pyridinyl)-5-(trifluoromethyl)piperidine-2-carboxamide;molecular hydrogen
CID 153398173

Frequently Asked Questions

What is the IUPAC name of 6-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 107262003) is 6-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-2-one is O=C(c1cccc(=O)[nH]1)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 6-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is XYOBAGRLZYYTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c13-12(14,15)8-4-6-17(7-5-8)11(19)9-2-1-3-10(18)16-9/h1-3,8H,4-7H2,(H,16,18).
What are the key properties of 6-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
6-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 274.24 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 107262003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).