5-amino-1-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]pyridin-2-one

C13H16F3N3O2 — CID 62814785

IUPAC5-amino-1-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]pyridin-2-one
SMILESNc1ccc(=O)n(CC(=O)N2CCCC(C(F)(F)F)C2)c1
InChIInChI=1S/C13H16F3N3O2/c14-13(15,16)9-2-1-5-18(6-9)12(21)8-19-7-10(17)3-4-11(19)20/h3-4,7,9H,1-2,5-6,8,17H2
InChIKeyWLDYDYZPGJQNQM-UHFFFAOYSA-N
MW303.28 g/mol
LogP1.23
Rot. Bonds2

About 5-amino-1-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]pyridin-2-one

5-amino-1-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]pyridin-2-one (PubChem CID 62814785) has the molecular formula C13H16F3N3O2 and a molecular weight of 303.28 g/mol. Its IUPAC name is 5-amino-1-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]pyridin-2-one
PubChem CID62814785
Molecular FormulaC13H16F3N3O2
Molecular Weight303.28 g/mol
Exact Mass303.12
IUPAC Name5-amino-1-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]pyridin-2-one
SMILESNc1ccc(=O)n(CC(=O)N2CCCC(C(F)(F)F)C2)c1
InChIInChI=1S/C13H16F3N3O2/c14-13(15,16)9-2-1-5-18(6-9)12(21)8-19-7-10(17)3-4-11(19)20/h3-4,7,9H,1-2,5-6,8,17H2
InChIKeyWLDYDYZPGJQNQM-UHFFFAOYSA-N
XLogP1.23
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbutyl)-2-(2-oxo-4-piperidin-1-yl-1-pyridinyl)acetamide
CID 90670068
1-Methyl-3-(piperidin-4-ylmethylamino)pyridin-2-one
CID 171346454
N-(1-acetylpiperidin-4-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 45807140
N-(1-ethyl-6-oxo-3-pyridinyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 71849994
2-[(3S)-3-methylpiperidin-1-yl]-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 95328319
(2S)-N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-2-propan-2-ylpiperidine-1-carboxamide
CID 97819389
(3Z)-4-(hydroxymethyl)-3-prop-2-enylidene-1-(6,6,6-trifluoro-5-methylhexyl)piperazin-2-one
CID 122678509
5-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-1H-pyridin-2-one
CID 130377235
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-(methylamino)pyridin-2-one
CID 137449496
1-(3,3-Difluoro-1-methylpiperidin-4-yl)-3-(methylamino)pyridin-2-one
CID 137449499
3-Amino-1-[1-(2-fluoroethyl)piperidin-3-yl]pyridin-2-one
CID 137450622

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]pyridin-2-one (CID 62814785) is 5-amino-1-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]pyridin-2-one is Nc1ccc(=O)n(CC(=O)N2CCCC(C(F)(F)F)C2)c1.
What is the InChIKey of 5-amino-1-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]pyridin-2-one?
The InChIKey is WLDYDYZPGJQNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2/c14-13(15,16)9-2-1-5-18(6-9)12(21)8-19-7-10(17)3-4-11(19)20/h3-4,7,9H,1-2,5-6,8,17H2.
What are the key properties of 5-amino-1-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]pyridin-2-one?
5-amino-1-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]pyridin-2-one has a molecular weight of 303.28 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]pyridin-2-one is sourced from PubChem (CID 62814785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).