(2S,4S)-4-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-6-oxopiperidine-2-carboxamide

C12H15F3N4O2 — CID 128520290

IUPAC(2S,4S)-4-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-6-oxopiperidine-2-carboxamide
SMILESC[C@@H]1CC(=O)N[C@H](C(=O)Nc2cn(C)nc2C(F)(F)F)C1
InChIInChI=1S/C12H15F3N4O2/c1-6-3-7(16-9(20)4-6)11(21)17-8-5-19(2)18-10(8)12(13,14)15/h5-7H,3-4H2,1-2H3,(H,16,20)(H,17,21)/t6-,7-/m0/s1
InChIKeyGVKGGMJQQKDSEO-BQBZGAKWSA-N
MW304.27 g/mol
LogP1.29
Rot. Bonds2

About (2S,4S)-4-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-6-oxopiperidine-2-carboxamide

(2S,4S)-4-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-6-oxopiperidine-2-carboxamide (PubChem CID 128520290) has the molecular formula C12H15F3N4O2 and a molecular weight of 304.27 g/mol. Its IUPAC name is (2S,4S)-4-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-6-oxopiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-6-oxopiperidine-2-carboxamide
PubChem CID128520290
Molecular FormulaC12H15F3N4O2
Molecular Weight304.27 g/mol
Exact Mass304.11
IUPAC Name(2S,4S)-4-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-6-oxopiperidine-2-carboxamide
SMILESC[C@@H]1CC(=O)N[C@H](C(=O)Nc2cn(C)nc2C(F)(F)F)C1
InChIInChI=1S/C12H15F3N4O2/c1-6-3-7(16-9(20)4-6)11(21)17-8-5-19(2)18-10(8)12(13,14)15/h5-7H,3-4H2,1-2H3,(H,16,20)(H,17,21)/t6-,7-/m0/s1
InChIKeyGVKGGMJQQKDSEO-BQBZGAKWSA-N
XLogP1.29
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-6-oxopiperidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-6-oxopiperidine-2-carboxamide (CID 128520290) is (2S,4S)-4-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-6-oxopiperidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-6-oxopiperidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-6-oxopiperidine-2-carboxamide is C[C@@H]1CC(=O)N[C@H](C(=O)Nc2cn(C)nc2C(F)(F)F)C1.
What is the InChIKey of (2S,4S)-4-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-6-oxopiperidine-2-carboxamide?
The InChIKey is GVKGGMJQQKDSEO-BQBZGAKWSA-N. The full InChI is InChI=1S/C12H15F3N4O2/c1-6-3-7(16-9(20)4-6)11(21)17-8-5-19(2)18-10(8)12(13,14)15/h5-7H,3-4H2,1-2H3,(H,16,20)(H,17,21)/t6-,7-/m0/s1.
What are the key properties of (2S,4S)-4-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-6-oxopiperidine-2-carboxamide?
(2S,4S)-4-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-6-oxopiperidine-2-carboxamide has a molecular weight of 304.27 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-6-oxopiperidine-2-carboxamide is sourced from PubChem (CID 128520290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).