6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide

C11H19F3N2O2 — CID 63829009

IUPAC6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide
SMILESCC1CCC(C(=O)NCCOCC(F)(F)F)CN1
InChIInChI=1S/C11H19F3N2O2/c1-8-2-3-9(6-16-8)10(17)15-4-5-18-7-11(12,13)14/h8-9,16H,2-7H2,1H3,(H,15,17)
InChIKeyCNNILHKGSFCUBY-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.07
Rot. Bonds5

About 6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide

6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide (PubChem CID 63829009) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide
PubChem CID63829009
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide
SMILESCC1CCC(C(=O)NCCOCC(F)(F)F)CN1
InChIInChI=1S/C11H19F3N2O2/c1-8-2-3-9(6-16-8)10(17)15-4-5-18-7-11(12,13)14/h8-9,16H,2-7H2,1H3,(H,15,17)
InChIKeyCNNILHKGSFCUBY-UHFFFAOYSA-N
XLogP1.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-3-carboxamide
CID 63827244
cis-(1S,3R)-3-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092359
N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxamide
CID 63826716
N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-3-carboxamide
CID 86850738
N-(2-ethoxy-2-methylpropyl)-6-methylpiperidine-3-carboxamide
CID 114942625
2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978794
4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-2-carboxamide
CID 114429060
2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropane-1-carboxamide
CID 78858799
N-[3-(methanesulfonamido)propyl]-6-methylpiperidine-3-carboxamide
CID 106339565
6-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 63828896
ethane;N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylcyclohexane-1-carboxamide
CID 177357452
2-(cyclopropylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 63826371

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide?
The IUPAC name of 6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide (CID 63829009) is 6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide is CC1CCC(C(=O)NCCOCC(F)(F)F)CN1.
What is the InChIKey of 6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide?
The InChIKey is CNNILHKGSFCUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-8-2-3-9(6-16-8)10(17)15-4-5-18-7-11(12,13)14/h8-9,16H,2-7H2,1H3,(H,15,17).
What are the key properties of 6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide?
6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 63829009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).