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

C14H18F3N3O2 — CID 146083921

IUPACN-(1-methyl-2-oxo-3-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCn1cccc(NC(=O)C2CCN(CC(F)(F)F)CC2)c1=O
InChIInChI=1S/C14H18F3N3O2/c1-19-6-2-3-11(13(19)22)18-12(21)10-4-7-20(8-5-10)9-14(15,16)17/h2-3,6,10H,4-5,7-9H2,1H3,(H,18,21)
InChIKeyCQUGBEFWYWBBAT-UHFFFAOYSA-N
MW317.31 g/mol
LogP1.60
Rot. Bonds3

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

N-(1-methyl-2-oxo-3-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 146083921) has the molecular formula C14H18F3N3O2 and a molecular weight of 317.31 g/mol. Its IUPAC name is N-(1-methyl-2-oxo-3-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-2-oxo-3-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID146083921
Molecular FormulaC14H18F3N3O2
Molecular Weight317.31 g/mol
Exact Mass317.14
IUPAC NameN-(1-methyl-2-oxo-3-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCn1cccc(NC(=O)C2CCN(CC(F)(F)F)CC2)c1=O
InChIInChI=1S/C14H18F3N3O2/c1-19-6-2-3-11(13(19)22)18-12(21)10-4-7-20(8-5-10)9-14(15,16)17/h2-3,6,10H,4-5,7-9H2,1H3,(H,18,21)
InChIKeyCQUGBEFWYWBBAT-UHFFFAOYSA-N
XLogP1.60
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2-oxo-3-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of N-(1-methyl-2-oxo-3-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 146083921) is N-(1-methyl-2-oxo-3-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1-methyl-2-oxo-3-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for N-(1-methyl-2-oxo-3-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is Cn1cccc(NC(=O)C2CCN(CC(F)(F)F)CC2)c1=O.
What is the InChIKey of N-(1-methyl-2-oxo-3-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is CQUGBEFWYWBBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O2/c1-19-6-2-3-11(13(19)22)18-12(21)10-4-7-20(8-5-10)9-14(15,16)17/h2-3,6,10H,4-5,7-9H2,1H3,(H,18,21).
What are the key properties of N-(1-methyl-2-oxo-3-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
N-(1-methyl-2-oxo-3-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 317.31 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2-oxo-3-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 146083921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).