N-(1-methyl-6-oxo-3-pyridinyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

C14H16F3N3O3 — CID 110725058

IUPACN-(1-methyl-6-oxo-3-pyridinyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCn1cc(NC(=O)C2CCN(C(=O)C(F)(F)F)CC2)ccc1=O
InChIInChI=1S/C14H16F3N3O3/c1-19-8-10(2-3-11(19)21)18-12(22)9-4-6-20(7-5-9)13(23)14(15,16)17/h2-3,8-9H,4-7H2,1H3,(H,18,22)
InChIKeyAHXBLAXJJPDCQC-UHFFFAOYSA-N
MW331.29 g/mol
LogP1.12
Rot. Bonds2

About N-(1-methyl-6-oxo-3-pyridinyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

N-(1-methyl-6-oxo-3-pyridinyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (PubChem CID 110725058) has the molecular formula C14H16F3N3O3 and a molecular weight of 331.29 g/mol. Its IUPAC name is N-(1-methyl-6-oxo-3-pyridinyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-6-oxo-3-pyridinyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
PubChem CID110725058
Molecular FormulaC14H16F3N3O3
Molecular Weight331.29 g/mol
Exact Mass331.11
IUPAC NameN-(1-methyl-6-oxo-3-pyridinyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCn1cc(NC(=O)C2CCN(C(=O)C(F)(F)F)CC2)ccc1=O
InChIInChI=1S/C14H16F3N3O3/c1-19-8-10(2-3-11(19)21)18-12(22)9-4-6-20(7-5-9)13(23)14(15,16)17/h2-3,8-9H,4-7H2,1H3,(H,18,22)
InChIKeyAHXBLAXJJPDCQC-UHFFFAOYSA-N
XLogP1.12
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-oxo-1,6-dihydropyridine-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 49676921
1-(2-methylpropyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide
CID 53506463
2-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide
CID 47381635
N-(1-ethyl-6-oxo-3-pyridinyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 71849994
1-acetyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide
CID 72050206
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-(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
N-(1-ethyl-6-oxo-3-pyridinyl)-5-(trifluoromethyl)piperidine-2-carboxamide;molecular hydrogen
CID 153398173
3-(4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 24605953
1-[2-[2-Oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-4-carboxamide
CID 31937890

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-6-oxo-3-pyridinyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of N-(1-methyl-6-oxo-3-pyridinyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (CID 110725058) is N-(1-methyl-6-oxo-3-pyridinyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1-methyl-6-oxo-3-pyridinyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-(1-methyl-6-oxo-3-pyridinyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is Cn1cc(NC(=O)C2CCN(C(=O)C(F)(F)F)CC2)ccc1=O.
What is the InChIKey of N-(1-methyl-6-oxo-3-pyridinyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The InChIKey is AHXBLAXJJPDCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O3/c1-19-8-10(2-3-11(19)21)18-12(22)9-4-6-20(7-5-9)13(23)14(15,16)17/h2-3,8-9H,4-7H2,1H3,(H,18,22).
What are the key properties of N-(1-methyl-6-oxo-3-pyridinyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
N-(1-methyl-6-oxo-3-pyridinyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide has a molecular weight of 331.29 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-6-oxo-3-pyridinyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 110725058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).