(3R)-N-methyl-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

C9H15F3N2O — CID 164640837

IUPAC(3R)-N-methyl-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESCNC(=O)N1CCC[C@H](CC(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O/c1-13-8(15)14-4-2-3-7(6-14)5-9(10,11)12/h7H,2-6H2,1H3,(H,13,15)/t7-/m1/s1
InChIKeyAOVYXGJSDLBUKR-SSDOTTSWSA-N
MW224.23 g/mol
LogP1.99
Rot. Bonds1

About (3R)-N-methyl-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

(3R)-N-methyl-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (PubChem CID 164640837) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is (3R)-N-methyl-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-methyl-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
PubChem CID164640837
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Name(3R)-N-methyl-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESCNC(=O)N1CCC[C@H](CC(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O/c1-13-8(15)14-4-2-3-7(6-14)5-9(10,11)12/h7H,2-6H2,1H3,(H,13,15)/t7-/m1/s1
InChIKeyAOVYXGJSDLBUKR-SSDOTTSWSA-N
XLogP1.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-N-[2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-1-piperidinecarboxamide
CID 935326
N-(2,2-difluoroethyl)-3-methylpiperidine-1-carboxamide
CID 84595795
N-[1,1-bis(trifluoromethyl)propyl]-4-methyl-1-piperidinecarboximidic acid
CID 671812
1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-3-(2-methylcyclopentyl)urea
CID 56826843
(3S)-4,4-difluoro-N,N,3-trimethylpiperidine-1-carboxamide
CID 124292077
N-methyl-4-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 132288983
N,2-dimethyl-3-(trifluoromethyl)piperidine-1-carboxamide
CID 132297135
7,7-difluoro-N,6-dimethyl-3-azabicyclo[4.1.0]heptane-3-carboxamide
CID 132297802
N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methylpiperidine-1-carboxamide
CID 11616479
4-tert-butyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 58394886
3-(Trifluoromethyl)piperidine-1-carboxamide
CID 60703187
4-(Trifluoromethyl)piperidine-1-carboxamide
CID 65534456

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-methyl-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (CID 164640837) is (3R)-N-methyl-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-methyl-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-methyl-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is CNC(=O)N1CCC[C@H](CC(F)(F)F)C1.
What is the InChIKey of (3R)-N-methyl-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The InChIKey is AOVYXGJSDLBUKR-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15F3N2O/c1-13-8(15)14-4-2-3-7(6-14)5-9(10,11)12/h7H,2-6H2,1H3,(H,13,15)/t7-/m1/s1.
What are the key properties of (3R)-N-methyl-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
(3R)-N-methyl-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide has a molecular weight of 224.23 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is sourced from PubChem (CID 164640837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).