N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide

C15H20F3N3O2 — CID 132971346

IUPACN-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CCCC(C(F)(F)F)C2)c(=O)n1C
InChIInChI=1S/C15H20F3N3O2/c1-10-5-6-11(13(22)20(10)2)8-19-14(23)21-7-3-4-12(9-21)15(16,17)18/h5-6,12H,3-4,7-9H2,1-2H3,(H,19,23)
InChIKeyPJCYKTOWFKMXDK-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.18
Rot. Bonds2

About N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide

N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 132971346) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID132971346
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC NameN-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CCCC(C(F)(F)F)C2)c(=O)n1C
InChIInChI=1S/C15H20F3N3O2/c1-10-5-6-11(13(22)20(10)2)8-19-14(23)21-7-3-4-12(9-21)15(16,17)18/h5-6,12H,3-4,7-9H2,1-2H3,(H,19,23)
InChIKeyPJCYKTOWFKMXDK-UHFFFAOYSA-N
XLogP2.18
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)piperidine-1-carboxamide
CID 94172258
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide
CID 51084737
(3R)-N-[(6-propoxy-3-pyridinyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide
CID 95760901
[4-(2,5-dimethylpyrrol-1-yl)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 46674111
N-[2-[(4-chlorobenzoyl)amino]ethyl]-3-(trifluoromethyl)piperidine-1-carboxamide
CID 42955553
1-[[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451731
1-cyclopropyl-3-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 120602893
1-[(4-methyl-2-methylsulfanylphenyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122006136
(3R)-N-[(1R,2R)-2-methylcyclopropyl]-3-(trifluoromethyl)piperidine-1-carboxamide
CID 100844708
N-(2-methylcyclopropyl)-3-(trifluoromethyl)piperidine-1-carboxamide
CID 56825754
1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 60655671
(3R)-3-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 51944575

Frequently Asked Questions

What is the IUPAC name of N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide (CID 132971346) is N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide is Cc1ccc(CNC(=O)N2CCCC(C(F)(F)F)C2)c(=O)n1C.
What is the InChIKey of N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is PJCYKTOWFKMXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O2/c1-10-5-6-11(13(22)20(10)2)8-19-14(23)21-7-3-4-12(9-21)15(16,17)18/h5-6,12H,3-4,7-9H2,1-2H3,(H,19,23).
What are the key properties of N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide?
N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 331.34 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 132971346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).