N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxamide

C10H17F3N2O2 — CID 63826716

IUPACN-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCOCC(F)(F)F)C1CCNCC1
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)7-17-6-5-15-9(16)8-1-3-14-4-2-8/h8,14H,1-7H2,(H,15,16)
InChIKeyITZBMWACLDFBSY-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.68
Rot. Bonds5

About N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxamide

N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxamide (PubChem CID 63826716) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxamide
PubChem CID63826716
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC NameN-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCOCC(F)(F)F)C1CCNCC1
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)7-17-6-5-15-9(16)8-1-3-14-4-2-8/h8,14H,1-7H2,(H,15,16)
InChIKeyITZBMWACLDFBSY-UHFFFAOYSA-N
XLogP0.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.68
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
N-(4,4,4-trifluorobutyl)piperidine-4-carboxamide
CID 81433066
cis-(1S,3R)-3-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092359
N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-3-carboxamide
CID 86850738
6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide
CID 63829009
N-(2-cyclopentyloxyethyl)piperidine-4-carboxamide
CID 63828643
2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978794
N-(2-phenylmethoxyethyl)piperidine-4-carboxamide
CID 89441554
4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-2-carboxamide
CID 114429060
N-[2-(methylamino)ethyl]piperidine-4-carboxamide
CID 118234588
2-(cyclopropylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 63826371
N-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119781584

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxamide (CID 63826716) is N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxamide is O=C(NCCOCC(F)(F)F)C1CCNCC1.
What is the InChIKey of N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxamide?
The InChIKey is ITZBMWACLDFBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c11-10(12,13)7-17-6-5-15-9(16)8-1-3-14-4-2-8/h8,14H,1-7H2,(H,15,16).
What are the key properties of N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxamide?
N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxamide has a molecular weight of 254.25 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 63826716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).