N,N-dimethyl-1-[2-(2,2,2-trifluoroethylamino)acetyl]pyrrolidine-2-carboxamide

C11H18F3N3O2 — CID 78958215

IUPACN,N-dimethyl-1-[2-(2,2,2-trifluoroethylamino)acetyl]pyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1C(=O)CNCC(F)(F)F
InChIInChI=1S/C11H18F3N3O2/c1-16(2)10(19)8-4-3-5-17(8)9(18)6-15-7-11(12,13)14/h8,15H,3-7H2,1-2H3
InChIKeyLRFHXYRDHAJXQO-UHFFFAOYSA-N
MW281.28 g/mol
LogP0.22
Rot. Bonds4

About N,N-dimethyl-1-[2-(2,2,2-trifluoroethylamino)acetyl]pyrrolidine-2-carboxamide

N,N-dimethyl-1-[2-(2,2,2-trifluoroethylamino)acetyl]pyrrolidine-2-carboxamide (PubChem CID 78958215) has the molecular formula C11H18F3N3O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-(2,2,2-trifluoroethylamino)acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-(2,2,2-trifluoroethylamino)acetyl]pyrrolidine-2-carboxamide
PubChem CID78958215
Molecular FormulaC11H18F3N3O2
Molecular Weight281.28 g/mol
Exact Mass281.14
IUPAC NameN,N-dimethyl-1-[2-(2,2,2-trifluoroethylamino)acetyl]pyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1C(=O)CNCC(F)(F)F
InChIInChI=1S/C11H18F3N3O2/c1-16(2)10(19)8-4-3-5-17(8)9(18)6-15-7-11(12,13)14/h8,15H,3-7H2,1-2H3
InChIKeyLRFHXYRDHAJXQO-UHFFFAOYSA-N
XLogP0.22
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dimethylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 79005743
1-(2-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 78914825
2-(dimethylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 89401620
1-(2,2-dimethylpropanoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60858063
4-[2-(dimethylcarbamoyl)pyrrolidin-1-yl]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 43578415
1-(cyclopropanecarbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60717815
ethyl 2-(dimethylcarbamoyl)pyrrolidine-1-carboxylate
CID 60700666
4-[2-(dimethylcarbamoyl)pyrrolidin-1-yl]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991376
N-[[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-2-yl]methyl]methanesulfonamide
CID 78933697
N-[2-(2-acetylpyrrolidin-1-yl)-2-oxoethyl]formamide
CID 171566777
1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 102738061
(2S)-1-[(2S)-1-[(2S)-1-acetylpyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 101411336

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-(2,2,2-trifluoroethylamino)acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of N,N-dimethyl-1-[2-(2,2,2-trifluoroethylamino)acetyl]pyrrolidine-2-carboxamide (CID 78958215) is N,N-dimethyl-1-[2-(2,2,2-trifluoroethylamino)acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[2-(2,2,2-trifluoroethylamino)acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[2-(2,2,2-trifluoroethylamino)acetyl]pyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1C(=O)CNCC(F)(F)F.
What is the InChIKey of N,N-dimethyl-1-[2-(2,2,2-trifluoroethylamino)acetyl]pyrrolidine-2-carboxamide?
The InChIKey is LRFHXYRDHAJXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O2/c1-16(2)10(19)8-4-3-5-17(8)9(18)6-15-7-11(12,13)14/h8,15H,3-7H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[2-(2,2,2-trifluoroethylamino)acetyl]pyrrolidine-2-carboxamide?
N,N-dimethyl-1-[2-(2,2,2-trifluoroethylamino)acetyl]pyrrolidine-2-carboxamide has a molecular weight of 281.28 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-(2,2,2-trifluoroethylamino)acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 78958215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).