2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

C13H22F3N3O — CID 118303133

IUPAC2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESCN1CCC(C2CCCN2C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C13H22F3N3O/c1-18-7-4-10(5-8-18)11-3-2-6-19(11)12(20)17-9-13(14,15)16/h10-11H,2-9H2,1H3,(H,17,20)
InChIKeyRUGBDOTYEQYLBM-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.06
Rot. Bonds2

About 2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (PubChem CID 118303133) has the molecular formula C13H22F3N3O and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
PubChem CID118303133
Molecular FormulaC13H22F3N3O
Molecular Weight293.33 g/mol
Exact Mass293.17
IUPAC Name2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESCN1CCC(C2CCCN2C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C13H22F3N3O/c1-18-7-4-10(5-8-18)11-3-2-6-19(11)12(20)17-9-13(14,15)16/h10-11H,2-9H2,1H3,(H,17,20)
InChIKeyRUGBDOTYEQYLBM-UHFFFAOYSA-N
XLogP2.06
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylpiperidine-1-carboxamide
CID 935326
1-{2-[4-(Trifluoromethyl)piperidin-1-yl]ethyl}imidazolidin-2-one
CID 56773866
N-Methyl-4-{1-[(propan-2-YL)carbamoyl]pyrrolidin-3-YL}piperidine-1-carboxamide
CID 91921393
N-(tert-butyl)-4-tetrahydro-1H-pyrrol-3-yltetrahydro-1(2H)-pyridinecarboxamide
CID 110197846
1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-3-(2-methylcyclopentyl)urea
CID 56826843
3-[4-(Difluoromethyl)cyclohexyl]-1,1-dimethylurea
CID 126794515
N,2-dimethyl-3-(trifluoromethyl)piperidine-1-carboxamide
CID 132297135
(3R)-N-methyl-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 164640837
1-[1-(1-Cyclobutylpiperidin-3-yl)ethyl]-3-(2,2-difluoroethyl)urea
CID 86786392
5-Methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one
CID 67976490
3-(3-Ethylcyclopentyl)-1-methyl-1-(2,2,2-trifluoroethyl)urea
CID 68260685
4-ethyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 68260776

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (CID 118303133) is 2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is CN1CCC(C2CCCN2C(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The InChIKey is RUGBDOTYEQYLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3O/c1-18-7-4-10(5-8-18)11-3-2-6-19(11)12(20)17-9-13(14,15)16/h10-11H,2-9H2,1H3,(H,17,20).
What are the key properties of 2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 118303133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).