N-(6-oxopiperidin-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C11H13F3N4O2 — CID 62896432

IUPACN-(6-oxopiperidin-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C1CCC(NC(=O)Cn2ccc(C(F)(F)F)n2)CN1
InChIInChI=1S/C11H13F3N4O2/c12-11(13,14)8-3-4-18(17-8)6-10(20)16-7-1-2-9(19)15-5-7/h3-4,7H,1-2,5-6H2,(H,15,19)(H,16,20)
InChIKeyGNKLZVMVBNWYFA-UHFFFAOYSA-N
MW290.25 g/mol
LogP0.30
Rot. Bonds3

About N-(6-oxopiperidin-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(6-oxopiperidin-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 62896432) has the molecular formula C11H13F3N4O2 and a molecular weight of 290.25 g/mol. Its IUPAC name is N-(6-oxopiperidin-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(6-oxopiperidin-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID62896432
Molecular FormulaC11H13F3N4O2
Molecular Weight290.25 g/mol
Exact Mass290.10
IUPAC NameN-(6-oxopiperidin-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C1CCC(NC(=O)Cn2ccc(C(F)(F)F)n2)CN1
InChIInChI=1S/C11H13F3N4O2/c12-11(13,14)8-3-4-18(17-8)6-10(20)16-7-1-2-9(19)15-5-7/h3-4,7H,1-2,5-6H2,(H,15,19)(H,16,20)
InChIKeyGNKLZVMVBNWYFA-UHFFFAOYSA-N
XLogP0.30
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 2809211
1-(methylsulfonyl)-N-(2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)piperidine-4-carboxamide
CID 71808038
N-(2,2-difluoroethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 75448682
N-(2-sulfanylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 177679812
3-sulfanyl-N-[2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]propanamide
CID 177680795
3-(3-(trifluoromethyl)-1H-pyrazol-1-yl)piperidine
CID 61632463
N,N-dimethyl-2-[4-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]acetamide
CID 39948535
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 45824035
N-(2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)cyclobutanecarboxamide
CID 71808000
N-methyl-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxamide
CID 71899330
(3S)-4-[(1-cyclopentylpyrazol-3-yl)methyl]-3-propan-2-ylpiperazin-2-one
CID 97601890
1-[4-[3-(Trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
CID 132345337

Frequently Asked Questions

What is the IUPAC name of N-(6-oxopiperidin-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(6-oxopiperidin-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 62896432) is N-(6-oxopiperidin-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(6-oxopiperidin-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(6-oxopiperidin-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is O=C1CCC(NC(=O)Cn2ccc(C(F)(F)F)n2)CN1.
What is the InChIKey of N-(6-oxopiperidin-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is GNKLZVMVBNWYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O2/c12-11(13,14)8-3-4-18(17-8)6-10(20)16-7-1-2-9(19)15-5-7/h3-4,7H,1-2,5-6H2,(H,15,19)(H,16,20).
What are the key properties of N-(6-oxopiperidin-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(6-oxopiperidin-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 290.25 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxopiperidin-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 62896432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).