N-methoxy-N-methyl-2-[(2S,3R)-2-(trifluoromethyl)piperidin-3-yl]acetamide

C10H17F3N2O2 — CID 125455742

IUPACN-methoxy-N-methyl-2-[(2S,3R)-2-(trifluoromethyl)piperidin-3-yl]acetamide
SMILESCON(C)C(=O)C[C@H]1CCCN[C@@H]1C(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-15(17-2)8(16)6-7-4-3-5-14-9(7)10(11,12)13/h7,9,14H,3-6H2,1-2H3/t7-,9+/m1/s1
InChIKeyCXLNFOLAGFKKPR-APPZFPTMSA-N
MW254.25 g/mol
LogP1.33
Rot. Bonds3

About N-methoxy-N-methyl-2-[(2S,3R)-2-(trifluoromethyl)piperidin-3-yl]acetamide

N-methoxy-N-methyl-2-[(2S,3R)-2-(trifluoromethyl)piperidin-3-yl]acetamide (PubChem CID 125455742) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is N-methoxy-N-methyl-2-[(2S,3R)-2-(trifluoromethyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-2-[(2S,3R)-2-(trifluoromethyl)piperidin-3-yl]acetamide
PubChem CID125455742
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC NameN-methoxy-N-methyl-2-[(2S,3R)-2-(trifluoromethyl)piperidin-3-yl]acetamide
SMILESCON(C)C(=O)C[C@H]1CCCN[C@@H]1C(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-15(17-2)8(16)6-7-4-3-5-14-9(7)10(11,12)13/h7,9,14H,3-6H2,1-2H3/t7-,9+/m1/s1
InChIKeyCXLNFOLAGFKKPR-APPZFPTMSA-N
XLogP1.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-[(2S,3R)-2-(trifluoromethyl)piperidin-3-yl]acetate
CID 125457210
2-cyclopentyl-N-methoxy-N-methylacetamide
CID 15158208
N-[2-[methoxy(methyl)amino]-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide
CID 141072279
2-[2-(trifluoromethyl)pyrrolidin-3-yl]acetic acid
CID 83831293
ethyl (2R,3S)-2-(trifluoromethyl)piperidine-3-carboxylate
CID 178202342
ethyl 2-(trifluoromethyl)piperidine-3-carboxylate
CID 167740176
(E)-N-methoxy-N-methyl-3-[(2S)-pyrrolidin-2-yl]prop-2-enamide;2,2,2-trifluoroacetic acid
CID 71615144
3-cyclobutyl-N-methoxy-N-methylpropanamide
CID 142020643
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methoxy-N-methylacetamide
CID 80520093
methyl 2-(trifluoromethyl)pyrrolidine-3-carboxylate
CID 105450407
N-methoxy-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 78887822
N-methoxy-N-methyl-2-[(1R)-2-methylidenecyclohexyl]acetamide
CID 135001013

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-2-[(2S,3R)-2-(trifluoromethyl)piperidin-3-yl]acetamide?
The IUPAC name of N-methoxy-N-methyl-2-[(2S,3R)-2-(trifluoromethyl)piperidin-3-yl]acetamide (CID 125455742) is N-methoxy-N-methyl-2-[(2S,3R)-2-(trifluoromethyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-methoxy-N-methyl-2-[(2S,3R)-2-(trifluoromethyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-methoxy-N-methyl-2-[(2S,3R)-2-(trifluoromethyl)piperidin-3-yl]acetamide is CON(C)C(=O)C[C@H]1CCCN[C@@H]1C(F)(F)F.
What is the InChIKey of N-methoxy-N-methyl-2-[(2S,3R)-2-(trifluoromethyl)piperidin-3-yl]acetamide?
The InChIKey is CXLNFOLAGFKKPR-APPZFPTMSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-15(17-2)8(16)6-7-4-3-5-14-9(7)10(11,12)13/h7,9,14H,3-6H2,1-2H3/t7-,9+/m1/s1.
What are the key properties of N-methoxy-N-methyl-2-[(2S,3R)-2-(trifluoromethyl)piperidin-3-yl]acetamide?
N-methoxy-N-methyl-2-[(2S,3R)-2-(trifluoromethyl)piperidin-3-yl]acetamide has a molecular weight of 254.25 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-2-[(2S,3R)-2-(trifluoromethyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 125455742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).