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

C13H24F3N3O — CID 63853091

IUPAC2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCNC(C)C1CCN(CC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C13H24F3N3O/c1-3-17-10(2)11-4-6-19(7-5-11)8-12(20)18-9-13(14,15)16/h10-11,17H,3-9H2,1-2H3,(H,18,20)
InChIKeyDLJLCOYDGWQKJW-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.37
Rot. Bonds6

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

2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 63853091) has the molecular formula C13H24F3N3O and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID63853091
Molecular FormulaC13H24F3N3O
Molecular Weight295.35 g/mol
Exact Mass295.19
IUPAC Name2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCNC(C)C1CCN(CC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C13H24F3N3O/c1-3-17-10(2)11-4-6-19(7-5-11)8-12(20)18-9-13(14,15)16/h10-11,17H,3-9H2,1-2H3,(H,18,20)
InChIKeyDLJLCOYDGWQKJW-UHFFFAOYSA-N
XLogP1.37
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-(4-methyl-1-piperidinyl)acetamide hydrochloride
CID 2959553
3-(2-Butanyl)-6-methyl-2,5-piperazinedione
CID 45359405
(3S,6S)-3-((2S)-butan-2-yl)-6-methylpiperazine-2,5-dione
CID 71359704
(3S,6S)-3-[(2S)-butan-2-yl]-6-propan-2-ylpiperazine-2,5-dione
CID 12086127
3,6-Di-sec-butylpiperazine-2,5-dione
CID 3252652
(3R,6S)-3-[(2S)-butan-2-yl]-6-methylpiperazine-2,5-dione
CID 98598010
(3S,6S)-3,6-di-sec-butylpiperazine-2,5-dione
CID 16395765
cyclo(L-isoleucyl-L-isoleucyl)
CID 7076240
2,2,2-trifluoro-N-(4-methylpiperidin-3-yl)acetamide
CID 122702900
(6S)-6-butan-2-yl-1-butylpiperazine-2,3-dione
CID 16745942
(3S)-3-butan-2-ylpiperazin-2-one
CID 44350705
4-(2-Amino-4-methylpentyl)-6-(2-methylpropyl)piperazin-2-one
CID 44385949

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 63853091) is 2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is CCNC(C)C1CCN(CC(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is DLJLCOYDGWQKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3O/c1-3-17-10(2)11-4-6-19(7-5-11)8-12(20)18-9-13(14,15)16/h10-11,17H,3-9H2,1-2H3,(H,18,20).
What are the key properties of 2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 295.35 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 63853091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).