[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

C13H22F3N3O — CID 63720627

IUPAC[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESCN(C)CC1CCCN1C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C13H22F3N3O/c1-18(2)8-10-4-3-7-19(10)11(20)12(13(14,15)16)5-6-17-9-12/h10,17H,3-9H2,1-2H3
InChIKeyBZUVDBFKHMOJBH-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.08
Rot. Bonds3

About [2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (PubChem CID 63720627) has the molecular formula C13H22F3N3O and a molecular weight of 293.33 g/mol. Its IUPAC name is [2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
PubChem CID63720627
Molecular FormulaC13H22F3N3O
Molecular Weight293.33 g/mol
Exact Mass293.17
IUPAC Name[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESCN(C)CC1CCCN1C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C13H22F3N3O/c1-18(2)8-10-4-3-7-19(10)11(20)12(13(14,15)16)5-6-17-9-12/h10,17H,3-9H2,1-2H3
InChIKeyBZUVDBFKHMOJBH-UHFFFAOYSA-N
XLogP1.08
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylpyrrolidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 63709889
[2-(2-hydroxyethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 63710206
N-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]pyrrolidine-2-carboxamide
CID 63709885
3-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-2-carboxylic acid
CID 107068770
1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-2-carboxamide
CID 63708258
3-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 102780404
N-(cyclohexylmethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709696
(4-hydroxy-3-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 114678268
N-cyclopentyl-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 55227271
N-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-3-carboxamide
CID 103195243
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-oxoacetic acid
CID 62888059
[4-(2-hydroxyethyl)piperazin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 63708237

Frequently Asked Questions

What is the IUPAC name of [2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The IUPAC name of [2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (CID 63720627) is [2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for [2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for [2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is CN(C)CC1CCCN1C(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of [2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The InChIKey is BZUVDBFKHMOJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3O/c1-18(2)8-10-4-3-7-19(10)11(20)12(13(14,15)16)5-6-17-9-12/h10,17H,3-9H2,1-2H3.
What are the key properties of [2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone has a molecular weight of 293.33 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 63720627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).