3-[3-(1-aminoethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one

C14H18F3N3O2 — CID 119593999

IUPAC3-[3-(1-aminoethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC(N)C1CCCN(C(=O)c2ccc(C(F)(F)F)[nH]c2=O)C1
InChIInChI=1S/C14H18F3N3O2/c1-8(18)9-3-2-6-20(7-9)13(22)10-4-5-11(14(15,16)17)19-12(10)21/h4-5,8-9H,2-3,6-7,18H2,1H3,(H,19,21)
InChIKeyQOSOKLVAOMRUMN-UHFFFAOYSA-N
MW317.31 g/mol
LogP1.59
Rot. Bonds2

About 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one

3-[3-(1-aminoethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 119593999) has the molecular formula C14H18F3N3O2 and a molecular weight of 317.31 g/mol. Its IUPAC name is 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[3-(1-aminoethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID119593999
Molecular FormulaC14H18F3N3O2
Molecular Weight317.31 g/mol
Exact Mass317.14
IUPAC Name3-[3-(1-aminoethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC(N)C1CCCN(C(=O)c2ccc(C(F)(F)F)[nH]c2=O)C1
InChIInChI=1S/C14H18F3N3O2/c1-8(18)9-3-2-6-20(7-9)13(22)10-4-5-11(14(15,16)17)19-12(10)21/h4-5,8-9H,2-3,6-7,18H2,1H3,(H,19,21)
InChIKeyQOSOKLVAOMRUMN-UHFFFAOYSA-N
XLogP1.59
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-fluoro-6-(trifluoromethyl)piperidine-3-carboxamide;molecular hydrogen
CID 153398050
3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 176681814
1-[2-[(2-Methylcyclohexyl)amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 17444493
2-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide
CID 18147826
3-(4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 24605953
N-(4-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 24608409
N-[(1R)-1-cyclopropylethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 33044492
N-[(1S)-1-cyclopropylethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 33044495
2-oxo-N-[4-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide
CID 33261661
2-oxo-N-[(2R)-pentan-2-yl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 34393531
2-oxo-N-[(2S)-pentan-2-yl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 34393539
N-[(1S,2S)-2-tert-butylcyclohexyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 40028452

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one (CID 119593999) is 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one is CC(N)C1CCCN(C(=O)c2ccc(C(F)(F)F)[nH]c2=O)C1.
What is the InChIKey of 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is QOSOKLVAOMRUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O2/c1-8(18)9-3-2-6-20(7-9)13(22)10-4-5-11(14(15,16)17)19-12(10)21/h4-5,8-9H,2-3,6-7,18H2,1H3,(H,19,21).
What are the key properties of 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
3-[3-(1-aminoethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 317.31 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 119593999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).