(3R)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C16H22F3N3O2 — CID 95137467

IUPAC(3R)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCc1cc(C)c(CNC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)c(=O)[nH]1
InChIInChI=1S/C16H22F3N3O2/c1-10-6-11(2)21-15(24)13(10)7-20-14(23)12-4-3-5-22(8-12)9-16(17,18)19/h6,12H,3-5,7-9H2,1-2H3,(H,20,23)(H,21,24)/t12-/m1/s1
InChIKeyYQARRGTYLVGLCP-GFCCVEGCSA-N
MW345.37 g/mol
LogP1.88
Rot. Bonds4

About (3R)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

(3R)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 95137467) has the molecular formula C16H22F3N3O2 and a molecular weight of 345.37 g/mol. Its IUPAC name is (3R)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID95137467
Molecular FormulaC16H22F3N3O2
Molecular Weight345.37 g/mol
Exact Mass345.17
IUPAC Name(3R)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCc1cc(C)c(CNC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)c(=O)[nH]1
InChIInChI=1S/C16H22F3N3O2/c1-10-6-11(2)21-15(24)13(10)7-20-14(23)12-4-3-5-22(8-12)9-16(17,18)19/h6,12H,3-5,7-9H2,1-2H3,(H,20,23)(H,21,24)/t12-/m1/s1
InChIKeyYQARRGTYLVGLCP-GFCCVEGCSA-N
XLogP1.88
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 95137467) is (3R)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is Cc1cc(C)c(CNC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)c(=O)[nH]1.
What is the InChIKey of (3R)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is YQARRGTYLVGLCP-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22F3N3O2/c1-10-6-11(2)21-15(24)13(10)7-20-14(23)12-4-3-5-22(8-12)9-16(17,18)19/h6,12H,3-5,7-9H2,1-2H3,(H,20,23)(H,21,24)/t12-/m1/s1.
What are the key properties of (3R)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
(3R)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 95137467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).