3-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide;hydrochloride

C13H22ClF3N2O — CID 119701111

IUPAC3-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCC1(C(=O)NC2CCCC(C(F)(F)F)C2)CCNC1.Cl
InChIInChI=1S/C13H21F3N2O.ClH/c1-12(5-6-17-8-12)11(19)18-10-4-2-3-9(7-10)13(14,15)16;/h9-10,17H,2-8H2,1H3,(H,18,19);1H
InChIKeySPDGBVNYSPYQPL-UHFFFAOYSA-N
MW314.78 g/mol
LogP2.65
Rot. Bonds2

About 3-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide;hydrochloride

3-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119701111) has the molecular formula C13H22ClF3N2O and a molecular weight of 314.78 g/mol. Its IUPAC name is 3-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119701111
Molecular FormulaC13H22ClF3N2O
Molecular Weight314.78 g/mol
Exact Mass314.14
IUPAC Name3-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCC1(C(=O)NC2CCCC(C(F)(F)F)C2)CCNC1.Cl
InChIInChI=1S/C13H21F3N2O.ClH/c1-12(5-6-17-8-12)11(19)18-10-4-2-3-9(7-10)13(14,15)16;/h9-10,17H,2-8H2,1H3,(H,18,19);1H
InChIKeySPDGBVNYSPYQPL-UHFFFAOYSA-N
XLogP2.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-(4-methylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119779385
N-(3-hydroxycyclohexyl)-4-methylpiperidine-4-carboxamide
CID 55179480
N-cyclohexyl-3-methylpiperidine-3-carboxamide
CID 63132420
N-(4-aminocyclohexyl)-3-methylpyrrolidine-3-carboxamide
CID 63142128
3-methyl-N-(thian-4-yl)pyrrolidine-3-carboxamide
CID 115738917
N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119701141
N-(1-cyclopropylpyrrolidin-3-yl)-3-methylpyrrolidine-3-carboxamide;dihydrochloride
CID 119864812
2-(1-hydroxycyclopentyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 111430402
3-methyl-N-(3-methylsulfanylcyclopentyl)piperidine-3-carboxamide
CID 103822117
4-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]oxolane-3-carboxamide
CID 66249253
1-methyl-N-[(3R)-piperidin-3-yl]cyclopentane-1-carboxamide
CID 104645453
(3R)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-3-carboxamide
CID 81124272

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of 3-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119701111) is 3-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for 3-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide;hydrochloride is CC1(C(=O)NC2CCCC(C(F)(F)F)C2)CCNC1.Cl.
What is the InChIKey of 3-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is SPDGBVNYSPYQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O.ClH/c1-12(5-6-17-8-12)11(19)18-10-4-2-3-9(7-10)13(14,15)16;/h9-10,17H,2-8H2,1H3,(H,18,19);1H.
What are the key properties of 3-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide;hydrochloride?
3-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 314.78 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119701111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).