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

C14H16F3N3O3 — CID 38846445

IUPAC(3R)-1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(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)/t9-/m1/s1
InChIKeySEPQNZJZKWQVCD-SECBINFHSA-N
MW331.29 g/mol
LogP0.59
Rot. Bonds3

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

(3R)-1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide (PubChem CID 38846445) has the molecular formula C14H16F3N3O3 and a molecular weight of 331.29 g/mol. Its IUPAC name is (3R)-1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide
PubChem CID38846445
Molecular FormulaC14H16F3N3O3
Molecular Weight331.29 g/mol
Exact Mass331.11
IUPAC Name(3R)-1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(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)/t9-/m1/s1
InChIKeySEPQNZJZKWQVCD-SECBINFHSA-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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Related Compounds

N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-3-carboxamide
CID 72046368
2-{[2-oxo-5-(trifluoromethyl)-1(2H)-pyridinyl]acetyl}-2,7-diazaspiro[4.5]decan-6-one
CID 72925849
1-[2-(3-Methylpiperidin-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 16294278
5-(trifluoromethyl)piperidin-2-one;5-(trifluoromethyl)-1H-pyridin-2-one
CID 161729260
4-Methyl-2-[2-oxo-5-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)-1-pyridinyl]pentanamide
CID 167131145
(2S)-2-[3-(1-ethyl-6-oxo-3-pyridinyl)-4,4-difluoropiperidin-1-yl]propanamide
CID 168877654
2-[(3S)-4,4-difluoro-3-(1-methyl-6-oxo-3-pyridinyl)piperidin-1-yl]propanamide
CID 175704477
(3S)-1-[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide
CID 8415362
(3R)-1-[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide
CID 8415363
1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 9204918
1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 9204923
1-[2-[3-Chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide
CID 24475073

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide (CID 38846445) is (3R)-1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide is NC(=O)[C@@H]1CCCN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)C1.
What is the InChIKey of (3R)-1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide?
The InChIKey is SEPQNZJZKWQVCD-SECBINFHSA-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)/t9-/m1/s1.
What are the key properties of (3R)-1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide?
(3R)-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 (3R)-1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 38846445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).