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

C12H21F3N2O2 — CID 55260889

IUPAC3-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide
SMILESCCC1(C(=O)NCCOCC(F)(F)F)CCCNC1
InChIInChI=1S/C12H21F3N2O2/c1-2-11(4-3-5-16-8-11)10(18)17-6-7-19-9-12(13,14)15/h16H,2-9H2,1H3,(H,17,18)
InChIKeyKJZBYBSFARWJHP-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.46
Rot. Bonds6

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

3-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide (PubChem CID 55260889) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 3-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide
PubChem CID55260889
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name3-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide
SMILESCCC1(C(=O)NCCOCC(F)(F)F)CCCNC1
InChIInChI=1S/C12H21F3N2O2/c1-2-11(4-3-5-16-8-11)10(18)17-6-7-19-9-12(13,14)15/h16H,2-9H2,1H3,(H,17,18)
InChIKeyKJZBYBSFARWJHP-UHFFFAOYSA-N
XLogP1.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.46
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-amino-2-oxoethoxy)ethyl]-3-ethylpiperidine-3-carboxamide
CID 106236645
N-(2-acetamidoethyl)-3-ethylpiperidine-3-carboxamide
CID 63130017
3-[(3-ethylpiperidine-3-carbonyl)amino]propanoic acid
CID 63131870
N-(3-amino-3-oxopropyl)-3-ethylpiperidine-3-carboxamide
CID 63130061
N-(cyclopropylmethyl)-3-ethylpiperidine-3-carboxamide
CID 63132114
3-ethyl-N-(2-methylsulfonylethyl)piperidine-3-carboxamide
CID 63131031
3-ethyl-N-[2-(methylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 63130528
3-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 63132469
ethyl 4-[(3-ethylpiperidine-3-carbonyl)amino]butanoate
CID 64575035
1-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119279337
N-[2-[cyclopentyl(methyl)amino]ethyl]-3-ethylpiperidine-3-carboxamide
CID 63316367
3-ethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 63135374

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide (CID 55260889) is 3-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide is CCC1(C(=O)NCCOCC(F)(F)F)CCCNC1.
What is the InChIKey of 3-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide?
The InChIKey is KJZBYBSFARWJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-2-11(4-3-5-16-8-11)10(18)17-6-7-19-9-12(13,14)15/h16H,2-9H2,1H3,(H,17,18).
What are the key properties of 3-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide?
3-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 55260889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).