N-(1-ethyl-6-oxo-3-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C15H20F3N3O2 — CID 146122661

IUPACN-(1-ethyl-6-oxo-3-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCCn1cc(NC(=O)C2CCN(CC(F)(F)F)CC2)ccc1=O
InChIInChI=1S/C15H20F3N3O2/c1-2-21-9-12(3-4-13(21)22)19-14(23)11-5-7-20(8-6-11)10-15(16,17)18/h3-4,9,11H,2,5-8,10H2,1H3,(H,19,23)
InChIKeyBNIOYPBSHHFUFJ-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.08
Rot. Bonds4

About N-(1-ethyl-6-oxo-3-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

N-(1-ethyl-6-oxo-3-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 146122661) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is N-(1-ethyl-6-oxo-3-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-6-oxo-3-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID146122661
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC NameN-(1-ethyl-6-oxo-3-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCCn1cc(NC(=O)C2CCN(CC(F)(F)F)CC2)ccc1=O
InChIInChI=1S/C15H20F3N3O2/c1-2-21-9-12(3-4-13(21)22)19-14(23)11-5-7-20(8-6-11)10-15(16,17)18/h3-4,9,11H,2,5-8,10H2,1H3,(H,19,23)
InChIKeyBNIOYPBSHHFUFJ-UHFFFAOYSA-N
XLogP2.08
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-6-oxo-3-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of N-(1-ethyl-6-oxo-3-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 146122661) is N-(1-ethyl-6-oxo-3-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1-ethyl-6-oxo-3-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for N-(1-ethyl-6-oxo-3-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is CCn1cc(NC(=O)C2CCN(CC(F)(F)F)CC2)ccc1=O.
What is the InChIKey of N-(1-ethyl-6-oxo-3-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is BNIOYPBSHHFUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O2/c1-2-21-9-12(3-4-13(21)22)19-14(23)11-5-7-20(8-6-11)10-15(16,17)18/h3-4,9,11H,2,5-8,10H2,1H3,(H,19,23).
What are the key properties of N-(1-ethyl-6-oxo-3-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
N-(1-ethyl-6-oxo-3-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 331.34 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-6-oxo-3-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 146122661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).