N-[(6-oxo-1H-pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C14H18F3N3O2 — CID 146122958

IUPACN-[(6-oxo-1H-pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccc(=O)[nH]c1)C1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C14H18F3N3O2/c15-14(16,17)9-20-5-1-2-11(8-20)13(22)19-7-10-3-4-12(21)18-6-10/h3-4,6,11H,1-2,5,7-9H2,(H,18,21)(H,19,22)
InChIKeyKFNRJRNYHOMSAJ-UHFFFAOYSA-N
MW317.31 g/mol
LogP1.27
Rot. Bonds4

About N-[(6-oxo-1H-pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

N-[(6-oxo-1H-pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 146122958) has the molecular formula C14H18F3N3O2 and a molecular weight of 317.31 g/mol. Its IUPAC name is N-[(6-oxo-1H-pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-oxo-1H-pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID146122958
Molecular FormulaC14H18F3N3O2
Molecular Weight317.31 g/mol
Exact Mass317.14
IUPAC NameN-[(6-oxo-1H-pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccc(=O)[nH]c1)C1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C14H18F3N3O2/c15-14(16,17)9-20-5-1-2-11(8-20)13(22)19-7-10-3-4-12(21)18-6-10/h3-4,6,11H,1-2,5,7-9H2,(H,18,21)(H,19,22)
InChIKeyKFNRJRNYHOMSAJ-UHFFFAOYSA-N
XLogP1.27
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(6-oxo-1H-pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of N-[(6-oxo-1H-pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 146122958) is N-[(6-oxo-1H-pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(6-oxo-1H-pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(6-oxo-1H-pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is O=C(NCc1ccc(=O)[nH]c1)C1CCCN(CC(F)(F)F)C1.
What is the InChIKey of N-[(6-oxo-1H-pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is KFNRJRNYHOMSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O2/c15-14(16,17)9-20-5-1-2-11(8-20)13(22)19-7-10-3-4-12(21)18-6-10/h3-4,6,11H,1-2,5,7-9H2,(H,18,21)(H,19,22).
What are the key properties of N-[(6-oxo-1H-pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
N-[(6-oxo-1H-pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 317.31 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-oxo-1H-pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 146122958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).