2-ethoxy-N-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide

C13H23F3N2O2 — CID 99791117

IUPAC2-ethoxy-N-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide
SMILESCCOCC(=O)N[C@@H](C)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O2/c1-3-20-8-12(19)17-10(2)11-4-6-18(7-5-11)9-13(14,15)16/h10-11H,3-9H2,1-2H3,(H,17,19)/t10-/m0/s1
InChIKeyKBJLEMQYEJSWKP-JTQLQIEISA-N
MW296.33 g/mol
LogP1.80
Rot. Bonds6

About 2-ethoxy-N-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide

2-ethoxy-N-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide (PubChem CID 99791117) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-ethoxy-N-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide
PubChem CID99791117
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Name2-ethoxy-N-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide
SMILESCCOCC(=O)N[C@@H](C)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O2/c1-3-20-8-12(19)17-10(2)11-4-6-18(7-5-11)9-13(14,15)16/h10-11H,3-9H2,1-2H3,(H,17,19)/t10-/m0/s1
InChIKeyKBJLEMQYEJSWKP-JTQLQIEISA-N
XLogP1.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N1-((1-(2-methoxyethyl)piperidin-4-yl)methyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 49751077
2-ethoxy-N-((1-isopropylpiperidin-4-yl)methyl)acetamide
CID 45558399
Methyl 4-((2-ethoxyacetamido)methyl)piperidine-1-carboxylate
CID 49688690
3-Ethyl-1-[(2,2,3,3-tetrafluoropropoxy)acetyl]piperazine
CID 56748804
[2-[Methyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate
CID 68475368
[2-[Methyl(piperidin-4-ylmethyl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate
CID 68476074
N-[(1S)-3,3-difluorocyclohexyl]-2-methoxy-N-piperidin-4-ylacetamide
CID 70952578
N-[(1R)-3,3-difluorocyclohexyl]-2-methoxy-N-piperidin-4-ylacetamide
CID 70954255
4-Cyclopropyl-11,11-difluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 90021666
[1-Oxo-1-(piperidin-4-ylmethylamino)propan-2-yl] 2,2,2-trifluoroacetate
CID 90879080
2,2-Difluoro-5,6-di(propan-2-yl)morpholin-3-one
CID 123225313
1-propan-2-yl-N-(3,3,3-trifluoro-2-methoxypropyl)piperidine-4-carboxamide
CID 126759836

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide?
The IUPAC name of 2-ethoxy-N-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide (CID 99791117) is 2-ethoxy-N-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide is CCOCC(=O)N[C@@H](C)C1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-ethoxy-N-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide?
The InChIKey is KBJLEMQYEJSWKP-JTQLQIEISA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-3-20-8-12(19)17-10(2)11-4-6-18(7-5-11)9-13(14,15)16/h10-11H,3-9H2,1-2H3,(H,17,19)/t10-/m0/s1.
What are the key properties of 2-ethoxy-N-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide?
2-ethoxy-N-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide has a molecular weight of 296.33 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide is sourced from PubChem (CID 99791117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).