tert-butyl 3-(2-hydroxypropan-2-yl)-5-oxopiperazine-1-carboxylate;ethane

C14H28N2O4 — CID 169255055

IUPACtert-butyl 3-(2-hydroxypropan-2-yl)-5-oxopiperazine-1-carboxylate;ethane
SMILESCC.CC(C)(C)OC(=O)N1CC(=O)NC(C(C)(C)O)C1
InChIInChI=1S/C12H22N2O4.C2H6/c1-11(2,3)18-10(16)14-6-8(12(4,5)17)13-9(15)7-14;1-2/h8,17H,6-7H2,1-5H3,(H,13,15);1-2H3
InChIKeyWFSOHRFWYGPOTR-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.52
Rot. Bonds1

About tert-butyl 3-(2-hydroxypropan-2-yl)-5-oxopiperazine-1-carboxylate;ethane

tert-butyl 3-(2-hydroxypropan-2-yl)-5-oxopiperazine-1-carboxylate;ethane (PubChem CID 169255055) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is tert-butyl 3-(2-hydroxypropan-2-yl)-5-oxopiperazine-1-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 3-(2-hydroxypropan-2-yl)-5-oxopiperazine-1-carboxylate;ethane
PubChem CID169255055
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Nametert-butyl 3-(2-hydroxypropan-2-yl)-5-oxopiperazine-1-carboxylate;ethane
SMILESCC.CC(C)(C)OC(=O)N1CC(=O)NC(C(C)(C)O)C1
InChIInChI=1S/C12H22N2O4.C2H6/c1-11(2,3)18-10(16)14-6-8(12(4,5)17)13-9(15)7-14;1-2/h8,17H,6-7H2,1-5H3,(H,13,15);1-2H3
InChIKeyWFSOHRFWYGPOTR-UHFFFAOYSA-N
XLogP1.52
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 169181220
tert-butyl 3-fluoro-4-oxopyrrolidine-1-carboxylate
CID 45158916
tert-butyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopiperazine-1-carboxylate
CID 170904003
tert-butyl 3-azabicyclo[3.1.0]hexane-3-carboxylate;ethane
CID 164877477
tert-butyl 6-oxo-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-c]azepine-2-carboxylate
CID 58266862
tert-butyl 3-(cyclopropylmethyl)-4-oxopyrrolidine-1-carboxylate
CID 178201142
ditert-butyl 4,9-diazatricyclo[5.3.0.02,6]decane-4,9-dicarboxylate
CID 118111531
tert-butyl (3S,4S)-3,4-dimethylpyrrolidine-1-carboxylate
CID 90195379
tert-butyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate;ethane
CID 168903998
tert-butyl (5S)-3,8-diazabicyclo[3.2.1]octane-3-carboxylate
CID 167310373
tert-butyl (1R,5R)-6-oxo-3-azabicyclo[3.2.0]heptane-3-carboxylate
CID 86327449
tert-butyl (3S)-3-methyl-5-oxopiperidine-1-carboxylate
CID 119081421

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-hydroxypropan-2-yl)-5-oxopiperazine-1-carboxylate;ethane?
The IUPAC name of tert-butyl 3-(2-hydroxypropan-2-yl)-5-oxopiperazine-1-carboxylate;ethane (CID 169255055) is tert-butyl 3-(2-hydroxypropan-2-yl)-5-oxopiperazine-1-carboxylate;ethane.
What is the SMILES notation for tert-butyl 3-(2-hydroxypropan-2-yl)-5-oxopiperazine-1-carboxylate;ethane?
The canonical SMILES for tert-butyl 3-(2-hydroxypropan-2-yl)-5-oxopiperazine-1-carboxylate;ethane is CC.CC(C)(C)OC(=O)N1CC(=O)NC(C(C)(C)O)C1.
What is the InChIKey of tert-butyl 3-(2-hydroxypropan-2-yl)-5-oxopiperazine-1-carboxylate;ethane?
The InChIKey is WFSOHRFWYGPOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4.C2H6/c1-11(2,3)18-10(16)14-6-8(12(4,5)17)13-9(15)7-14;1-2/h8,17H,6-7H2,1-5H3,(H,13,15);1-2H3.
What are the key properties of tert-butyl 3-(2-hydroxypropan-2-yl)-5-oxopiperazine-1-carboxylate;ethane?
tert-butyl 3-(2-hydroxypropan-2-yl)-5-oxopiperazine-1-carboxylate;ethane has a molecular weight of 288.39 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-hydroxypropan-2-yl)-5-oxopiperazine-1-carboxylate;ethane is sourced from PubChem (CID 169255055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).