N-[[1-(dimethylamino)cyclobutyl]methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C13H22F3N3O — CID 105417276

IUPACN-[[1-(dimethylamino)cyclobutyl]methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCN(C)C1(CNC(=O)C2(C(F)(F)F)CCNC2)CCC1
InChIInChI=1S/C13H22F3N3O/c1-19(2)11(4-3-5-11)8-18-10(20)12(13(14,15)16)6-7-17-9-12/h17H,3-9H2,1-2H3,(H,18,20)
InChIKeyKVVCEQHIWHIAFO-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.13
Rot. Bonds4

About N-[[1-(dimethylamino)cyclobutyl]methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-[[1-(dimethylamino)cyclobutyl]methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 105417276) has the molecular formula C13H22F3N3O and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclobutyl]methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclobutyl]methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID105417276
Molecular FormulaC13H22F3N3O
Molecular Weight293.33 g/mol
Exact Mass293.17
IUPAC NameN-[[1-(dimethylamino)cyclobutyl]methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCN(C)C1(CNC(=O)C2(C(F)(F)F)CCNC2)CCC1
InChIInChI=1S/C13H22F3N3O/c1-19(2)11(4-3-5-11)8-18-10(20)12(13(14,15)16)6-7-17-9-12/h17H,3-9H2,1-2H3,(H,18,20)
InChIKeyKVVCEQHIWHIAFO-UHFFFAOYSA-N
XLogP1.13
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]methyl]cyclobutyl]acetic acid
CID 81164780
N-[2-(dimethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710060
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 79362855
N-butyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710909
N-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 115406927
N-[[1-(dimethylamino)cyclopentyl]methyl]-4-propylpiperidine-4-carboxamide
CID 83112493
N-(cyclohexylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708236
1-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]cyclobutane-1-carboxamide
CID 83111018
N-[1-(dimethylamino)propan-2-yl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 82945350
N-(4-hydroxypentan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 113376269
N-[3-(diethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708215
N-[[1-(dimethylamino)cyclopentyl]methyl]-4,4,4-trifluorobutanamide
CID 122564590

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 105417276) is N-[[1-(dimethylamino)cyclobutyl]methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclobutyl]methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclobutyl]methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CN(C)C1(CNC(=O)C2(C(F)(F)F)CCNC2)CCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclobutyl]methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is KVVCEQHIWHIAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3O/c1-19(2)11(4-3-5-11)8-18-10(20)12(13(14,15)16)6-7-17-9-12/h17H,3-9H2,1-2H3,(H,18,20).
What are the key properties of N-[[1-(dimethylamino)cyclobutyl]methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclobutyl]methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 105417276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).