4-(3-methyl-4-pyridinyl)-6-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one

C17H18F3N3O — CID 176837585

IUPAC4-(3-methyl-4-pyridinyl)-6-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one
SMILESCc1cnccc1-c1cc(N2CCCC[C@@H]2C(F)(F)F)[nH]c(=O)c1
InChIInChI=1S/C17H18F3N3O/c1-11-10-21-6-5-13(11)12-8-15(22-16(24)9-12)23-7-3-2-4-14(23)17(18,19)20/h5-6,8-10,14H,2-4,7H2,1H3,(H,22,24)/t14-/m1/s1
InChIKeyWVEOZTAXDYPNHG-CQSZACIVSA-N
MW337.35 g/mol
LogP3.67
Rot. Bonds2

About 4-(3-methyl-4-pyridinyl)-6-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one

4-(3-methyl-4-pyridinyl)-6-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one (PubChem CID 176837585) has the molecular formula C17H18F3N3O and a molecular weight of 337.35 g/mol. Its IUPAC name is 4-(3-methyl-4-pyridinyl)-6-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(3-methyl-4-pyridinyl)-6-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one
PubChem CID176837585
Molecular FormulaC17H18F3N3O
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Name4-(3-methyl-4-pyridinyl)-6-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one
SMILESCc1cnccc1-c1cc(N2CCCC[C@@H]2C(F)(F)F)[nH]c(=O)c1
InChIInChI=1S/C17H18F3N3O/c1-11-10-21-6-5-13(11)12-8-15(22-16(24)9-12)23-7-3-2-4-14(23)17(18,19)20/h5-6,8-10,14H,2-4,7H2,1H3,(H,22,24)/t14-/m1/s1
InChIKeyWVEOZTAXDYPNHG-CQSZACIVSA-N
XLogP3.67
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-4-pyridinyl)-6-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one?
The IUPAC name of 4-(3-methyl-4-pyridinyl)-6-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one (CID 176837585) is 4-(3-methyl-4-pyridinyl)-6-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-(3-methyl-4-pyridinyl)-6-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-(3-methyl-4-pyridinyl)-6-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one is Cc1cnccc1-c1cc(N2CCCC[C@@H]2C(F)(F)F)[nH]c(=O)c1.
What is the InChIKey of 4-(3-methyl-4-pyridinyl)-6-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one?
The InChIKey is WVEOZTAXDYPNHG-CQSZACIVSA-N. The full InChI is InChI=1S/C17H18F3N3O/c1-11-10-21-6-5-13(11)12-8-15(22-16(24)9-12)23-7-3-2-4-14(23)17(18,19)20/h5-6,8-10,14H,2-4,7H2,1H3,(H,22,24)/t14-/m1/s1.
What are the key properties of 4-(3-methyl-4-pyridinyl)-6-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one?
4-(3-methyl-4-pyridinyl)-6-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one has a molecular weight of 337.35 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-4-pyridinyl)-6-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one is sourced from PubChem (CID 176837585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).