N-(1-methyl-2-oxo-3-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C14H18F3N3O2 — CID 146122957

IUPACN-(1-methyl-2-oxo-3-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCn1cccc(NC(=O)C2CCCN(CC(F)(F)F)C2)c1=O
InChIInChI=1S/C14H18F3N3O2/c1-19-6-3-5-11(13(19)22)18-12(21)10-4-2-7-20(8-10)9-14(15,16)17/h3,5-6,10H,2,4,7-9H2,1H3,(H,18,21)
InChIKeyQBAZEJFOHHWNDD-UHFFFAOYSA-N
MW317.31 g/mol
LogP1.60
Rot. Bonds3

About N-(1-methyl-2-oxo-3-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

N-(1-methyl-2-oxo-3-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 146122957) has the molecular formula C14H18F3N3O2 and a molecular weight of 317.31 g/mol. Its IUPAC name is N-(1-methyl-2-oxo-3-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-2-oxo-3-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID146122957
Molecular FormulaC14H18F3N3O2
Molecular Weight317.31 g/mol
Exact Mass317.14
IUPAC NameN-(1-methyl-2-oxo-3-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCn1cccc(NC(=O)C2CCCN(CC(F)(F)F)C2)c1=O
InChIInChI=1S/C14H18F3N3O2/c1-19-6-3-5-11(13(19)22)18-12(21)10-4-2-7-20(8-10)9-14(15,16)17/h3,5-6,10H,2,4,7-9H2,1H3,(H,18,21)
InChIKeyQBAZEJFOHHWNDD-UHFFFAOYSA-N
XLogP1.60
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-3-carboxamide
CID 72046368
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
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-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-6-oxopiperidine-3-carboxamide
CID 146323231
N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 146323232
N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-6-oxopiperidine-2-carboxamide
CID 146323240
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

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2-oxo-3-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of N-(1-methyl-2-oxo-3-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 146122957) is N-(1-methyl-2-oxo-3-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(1-methyl-2-oxo-3-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for N-(1-methyl-2-oxo-3-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is Cn1cccc(NC(=O)C2CCCN(CC(F)(F)F)C2)c1=O.
What is the InChIKey of N-(1-methyl-2-oxo-3-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is QBAZEJFOHHWNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O2/c1-19-6-3-5-11(13(19)22)18-12(21)10-4-2-7-20(8-10)9-14(15,16)17/h3,5-6,10H,2,4,7-9H2,1H3,(H,18,21).
What are the key properties of N-(1-methyl-2-oxo-3-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
N-(1-methyl-2-oxo-3-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 317.31 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2-oxo-3-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 146122957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).