(3S)-N-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C9H15F3N2O — CID 81124814

IUPAC(3S)-N-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCN(CC(F)(F)F)C(=O)[C@H]1CCCNC1
InChIInChI=1S/C9H15F3N2O/c1-14(6-9(10,11)12)8(15)7-3-2-4-13-5-7/h7,13H,2-6H2,1H3/t7-/m0/s1
InChIKeyPHGPJYMOKZFINQ-ZETCQYMHSA-N
MW224.23 g/mol
LogP1.01
Rot. Bonds2

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

(3S)-N-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 81124814) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is (3S)-N-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID81124814
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Name(3S)-N-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCN(CC(F)(F)F)C(=O)[C@H]1CCCNC1
InChIInChI=1S/C9H15F3N2O/c1-14(6-9(10,11)12)8(15)7-3-2-4-13-5-7/h7,13H,2-6H2,1H3/t7-/m0/s1
InChIKeyPHGPJYMOKZFINQ-ZETCQYMHSA-N
XLogP1.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-dimethylpropyl)-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119299426
(3S)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 81129896
N-(3,3-dimethylbutyl)-N-methylpiperidine-3-carboxamide
CID 115159936
2-[[(3R)-piperidine-3-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 81133973
N-(2-hydroxyethyl)-N-methylpiperidine-3-carboxamide
CID 50988968
(3S)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 81129178
(3S)-N,N-dimethylpiperidine-3-carboxamide
CID 11469201
N-(2,2-dimethylpropyl)-N-methylpyrrolidine-3-carboxamide
CID 63005495
(3R)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 81133672
(3S)-N-methyl-N-pentylpiperidine-3-carboxamide
CID 81123765
(3S)-N-methyl-N-(3-methylbutyl)piperidine-3-carboxamide
CID 81129333
(3R)-N-methyl-N-[(2-methylcyclopropyl)methyl]piperidine-3-carboxamide
CID 81139885

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 81124814) is (3S)-N-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CN(CC(F)(F)F)C(=O)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is PHGPJYMOKZFINQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15F3N2O/c1-14(6-9(10,11)12)8(15)7-3-2-4-13-5-7/h7,13H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of (3S)-N-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
(3S)-N-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 224.23 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 81124814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).