2-[(2R)-1-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-3-carbonyl]piperidin-2-yl]acetamide

C16H22F3N3O2 — CID 95146650

IUPAC2-[(2R)-1-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-3-carbonyl]piperidin-2-yl]acetamide
SMILESCc1cc(C(=O)N2CCCC[C@@H]2CC(N)=O)c(C)n1CC(F)(F)F
InChIInChI=1S/C16H22F3N3O2/c1-10-7-13(11(2)22(10)9-16(17,18)19)15(24)21-6-4-3-5-12(21)8-14(20)23/h7,12H,3-6,8-9H2,1-2H3,(H2,20,23)/t12-/m1/s1
InChIKeyNNIQLIXNCRSCAD-GFCCVEGCSA-N
MW345.37 g/mol
LogP2.54
Rot. Bonds4

About 2-[(2R)-1-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-3-carbonyl]piperidin-2-yl]acetamide

2-[(2R)-1-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-3-carbonyl]piperidin-2-yl]acetamide (PubChem CID 95146650) has the molecular formula C16H22F3N3O2 and a molecular weight of 345.37 g/mol. Its IUPAC name is 2-[(2R)-1-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-3-carbonyl]piperidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2R)-1-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-3-carbonyl]piperidin-2-yl]acetamide
PubChem CID95146650
Molecular FormulaC16H22F3N3O2
Molecular Weight345.37 g/mol
Exact Mass345.17
IUPAC Name2-[(2R)-1-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-3-carbonyl]piperidin-2-yl]acetamide
SMILESCc1cc(C(=O)N2CCCC[C@@H]2CC(N)=O)c(C)n1CC(F)(F)F
InChIInChI=1S/C16H22F3N3O2/c1-10-7-13(11(2)22(10)9-16(17,18)19)15(24)21-6-4-3-5-12(21)8-14(20)23/h7,12H,3-6,8-9H2,1-2H3,(H2,20,23)/t12-/m1/s1
InChIKeyNNIQLIXNCRSCAD-GFCCVEGCSA-N
XLogP2.54
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-1-(2-bromo-5-fluorobenzoyl)piperidin-2-yl]acetamide
CID 95309748
[2-(aminomethyl)piperidin-1-yl]-(1-benzyl-2,5-dimethylpyrrol-3-yl)methanone;hydrochloride
CID 119467725
2-[(2R)-1-(3-chloro-5-fluoro-2-hydroxybenzoyl)piperidin-2-yl]acetamide
CID 97250942
[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanone
CID 124686397
2-[1-[3-chloro-5-(trifluoromethyl)benzoyl]piperidin-2-yl]acetamide
CID 91649837
[2-(aminomethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 119468484
2-[1-(2-chloro-5-piperidin-1-ylbenzoyl)piperidin-2-yl]acetamide
CID 135119763
(5R)-5-cyclohexyl-3-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7619358
2-[(2R)-1-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperidin-2-yl]acetamide
CID 95286122
2-[(2R)-1-(2,3-dihydro-1H-indene-5-carbonyl)piperidin-2-yl]acetamide
CID 95293673
[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxoethyl] (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 55944841
(1-ethyl-2,5-dimethylpyrrol-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95344674

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-3-carbonyl]piperidin-2-yl]acetamide?
The IUPAC name of 2-[(2R)-1-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-3-carbonyl]piperidin-2-yl]acetamide (CID 95146650) is 2-[(2R)-1-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-3-carbonyl]piperidin-2-yl]acetamide.
What is the SMILES notation for 2-[(2R)-1-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-3-carbonyl]piperidin-2-yl]acetamide?
The canonical SMILES for 2-[(2R)-1-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-3-carbonyl]piperidin-2-yl]acetamide is Cc1cc(C(=O)N2CCCC[C@@H]2CC(N)=O)c(C)n1CC(F)(F)F.
What is the InChIKey of 2-[(2R)-1-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-3-carbonyl]piperidin-2-yl]acetamide?
The InChIKey is NNIQLIXNCRSCAD-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22F3N3O2/c1-10-7-13(11(2)22(10)9-16(17,18)19)15(24)21-6-4-3-5-12(21)8-14(20)23/h7,12H,3-6,8-9H2,1-2H3,(H2,20,23)/t12-/m1/s1.
What are the key properties of 2-[(2R)-1-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-3-carbonyl]piperidin-2-yl]acetamide?
2-[(2R)-1-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-3-carbonyl]piperidin-2-yl]acetamide has a molecular weight of 345.37 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-3-carbonyl]piperidin-2-yl]acetamide is sourced from PubChem (CID 95146650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).