N-(6-methyl-2-oxo-1H-pyridin-3-yl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide

C15H20F3N3O2 — CID 131961655

IUPACN-(6-methyl-2-oxo-1H-pyridin-3-yl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide
SMILESCc1ccc(NC(=O)CC2CCN(CC(F)(F)F)CC2)c(=O)[nH]1
InChIInChI=1S/C15H20F3N3O2/c1-10-2-3-12(14(23)19-10)20-13(22)8-11-4-6-21(7-5-11)9-15(16,17)18/h2-3,11H,4-9H2,1H3,(H,19,23)(H,20,22)
InChIKeyTZYVNAMJQZEHLY-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.29
Rot. Bonds4

About N-(6-methyl-2-oxo-1H-pyridin-3-yl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide

N-(6-methyl-2-oxo-1H-pyridin-3-yl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide (PubChem CID 131961655) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is N-(6-methyl-2-oxo-1H-pyridin-3-yl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(6-methyl-2-oxo-1H-pyridin-3-yl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide
PubChem CID131961655
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC NameN-(6-methyl-2-oxo-1H-pyridin-3-yl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide
SMILESCc1ccc(NC(=O)CC2CCN(CC(F)(F)F)CC2)c(=O)[nH]1
InChIInChI=1S/C15H20F3N3O2/c1-10-2-3-12(14(23)19-10)20-13(22)8-11-4-6-21(7-5-11)9-15(16,17)18/h2-3,11H,4-9H2,1H3,(H,19,23)(H,20,22)
InChIKeyTZYVNAMJQZEHLY-UHFFFAOYSA-N
XLogP2.29
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-oxo-1H-pyridin-3-yl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide?
The IUPAC name of N-(6-methyl-2-oxo-1H-pyridin-3-yl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide (CID 131961655) is N-(6-methyl-2-oxo-1H-pyridin-3-yl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-(6-methyl-2-oxo-1H-pyridin-3-yl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-(6-methyl-2-oxo-1H-pyridin-3-yl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide is Cc1ccc(NC(=O)CC2CCN(CC(F)(F)F)CC2)c(=O)[nH]1.
What is the InChIKey of N-(6-methyl-2-oxo-1H-pyridin-3-yl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide?
The InChIKey is TZYVNAMJQZEHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O2/c1-10-2-3-12(14(23)19-10)20-13(22)8-11-4-6-21(7-5-11)9-15(16,17)18/h2-3,11H,4-9H2,1H3,(H,19,23)(H,20,22).
What are the key properties of N-(6-methyl-2-oxo-1H-pyridin-3-yl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide?
N-(6-methyl-2-oxo-1H-pyridin-3-yl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide has a molecular weight of 331.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-oxo-1H-pyridin-3-yl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 131961655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).