1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide

C14H16F3N3O3 — CID 78802915

IUPAC1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)C1
InChIInChI=1S/C14H16F3N3O3/c15-14(16,17)10-3-4-11(21)20(7-10)8-12(22)19-5-1-2-9(6-19)13(18)23/h3-4,7,9H,1-2,5-6,8H2,(H2,18,23)
InChIKeySEPQNZJZKWQVCD-UHFFFAOYSA-N
MW331.29 g/mol
LogP0.59
Rot. Bonds3

About 1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide

1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide (PubChem CID 78802915) has the molecular formula C14H16F3N3O3 and a molecular weight of 331.29 g/mol. Its IUPAC name is 1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide
PubChem CID78802915
Molecular FormulaC14H16F3N3O3
Molecular Weight331.29 g/mol
Exact Mass331.11
IUPAC Name1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)C1
InChIInChI=1S/C14H16F3N3O3/c15-14(16,17)10-3-4-11(21)20(7-10)8-12(22)19-5-1-2-9(6-19)13(18)23/h3-4,7,9H,1-2,5-6,8H2,(H2,18,23)
InChIKeySEPQNZJZKWQVCD-UHFFFAOYSA-N
XLogP0.59
TPSA85.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide (CID 78802915) is 1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide is NC(=O)C1CCCN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)C1.
What is the InChIKey of 1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide?
The InChIKey is SEPQNZJZKWQVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O3/c15-14(16,17)10-3-4-11(21)20(7-10)8-12(22)19-5-1-2-9(6-19)13(18)23/h3-4,7,9H,1-2,5-6,8H2,(H2,18,23).
What are the key properties of 1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide?
1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide has a molecular weight of 331.29 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 78802915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).