N-[(3-ethylpiperidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide

C12H21F3N2O2 — CID 103206941

IUPACN-[(3-ethylpiperidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCC1CCCNC1CNC(=O)COCC(F)(F)F
InChIInChI=1S/C12H21F3N2O2/c1-2-9-4-3-5-16-10(9)6-17-11(18)7-19-8-12(13,14)15/h9-10,16H,2-8H2,1H3,(H,17,18)
InChIKeyPESZXIUJDUIFFD-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.46
Rot. Bonds6

About N-[(3-ethylpiperidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[(3-ethylpiperidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103206941) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is N-[(3-ethylpiperidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[(3-ethylpiperidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103206941
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC NameN-[(3-ethylpiperidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCC1CCCNC1CNC(=O)COCC(F)(F)F
InChIInChI=1S/C12H21F3N2O2/c1-2-9-4-3-5-16-10(9)6-17-11(18)7-19-8-12(13,14)15/h9-10,16H,2-8H2,1H3,(H,17,18)
InChIKeyPESZXIUJDUIFFD-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

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Related Compounds

N-[(3-ethylpiperidin-2-yl)methyl]acetamide
CID 82734521
N-[(3-ethylpiperidin-2-yl)methyl]pentanamide
CID 82735090
ethyl N-[(3-ethylpiperidin-2-yl)methyl]carbamate
CID 82734865
N-(2-pyrrolidin-2-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209753
N-(piperidin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 113265453
N-[(3-ethylpiperidin-2-yl)methyl]-2-(4-fluorophenyl)acetamide
CID 82734161
N-[[2-(aminomethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212934
N-[(3-methylpiperidin-2-yl)methyl]-2-propoxyacetamide
CID 107938590
N-[(3-ethylpiperidin-2-yl)methyl]-2-methylcyclopentane-1-carboxamide
CID 107176843
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 120945294
N-(morpholin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103548442
N-[(3-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209117

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylpiperidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[(3-ethylpiperidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 103206941) is N-[(3-ethylpiperidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[(3-ethylpiperidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[(3-ethylpiperidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide is CCC1CCCNC1CNC(=O)COCC(F)(F)F.
What is the InChIKey of N-[(3-ethylpiperidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is PESZXIUJDUIFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-2-9-4-3-5-16-10(9)6-17-11(18)7-19-8-12(13,14)15/h9-10,16H,2-8H2,1H3,(H,17,18).
What are the key properties of N-[(3-ethylpiperidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[(3-ethylpiperidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide 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 N-[(3-ethylpiperidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103206941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).