tert-butyl 4-cyclobutyl-2-ethyl-5-oxopiperazine-1-carboxylate

C15H26N2O3 — CID 67362605

IUPACtert-butyl 4-cyclobutyl-2-ethyl-5-oxopiperazine-1-carboxylate
SMILESCCC1CN(C2CCC2)C(=O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H26N2O3/c1-5-11-9-16(12-7-6-8-12)13(18)10-17(11)14(19)20-15(2,3)4/h11-12H,5-10H2,1-4H3
InChIKeyQLMFZMLGROTUEK-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.40
Rot. Bonds2

About tert-butyl 4-cyclobutyl-2-ethyl-5-oxopiperazine-1-carboxylate

tert-butyl 4-cyclobutyl-2-ethyl-5-oxopiperazine-1-carboxylate (PubChem CID 67362605) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is tert-butyl 4-cyclobutyl-2-ethyl-5-oxopiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-cyclobutyl-2-ethyl-5-oxopiperazine-1-carboxylate
PubChem CID67362605
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Nametert-butyl 4-cyclobutyl-2-ethyl-5-oxopiperazine-1-carboxylate
SMILESCCC1CN(C2CCC2)C(=O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H26N2O3/c1-5-11-9-16(12-7-6-8-12)13(18)10-17(11)14(19)20-15(2,3)4/h11-12H,5-10H2,1-4H3
InChIKeyQLMFZMLGROTUEK-UHFFFAOYSA-N
XLogP2.40
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4-cyclobutyl-2-ethyl-5-oxopiperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-ethylaziridine-1-carboxylate
CID 73192323
tert-butyl (3S,9aS)-3-ethyl-8-methyl-7-oxo-1,3,4,6,9,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxylate
CID 101381390
tert-butyl 2-ethyl-5-hydroxypiperidine-1-carboxylate;tert-butyl 2-ethyl-5-oxopiperidine-1-carboxylate
CID 163717064
2-[(2R)-4-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazin-2-yl]acetic acid
CID 91436948
ditert-butyl 7,9-diazabicyclo[4.2.2]decane-7,9-dicarboxylate
CID 69231191
tert-butyl (2R)-2-ethylpiperidine-1-carboxylate
CID 45095102
tert-butyl (2S)-4-ethyl-2-methyl-5-oxopiperazine-1-carboxylate
CID 90740557
tert-butyl (3S,9aS)-3-ethyl-8-(2-methylpropyl)-7-oxo-1,3,4,6,9,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxylate
CID 101381391
tert-butyl (3S,9aS)-8-[2-(diethylamino)ethyl]-3-ethyl-7-oxo-1,3,4,6,9,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxylate
CID 101381393
tert-butyl (2R)-2-(hydroxymethyl)-4-oxopyrrolidine-1-carboxylate
CID 22848098
tert-butyl (2R)-2-ethyl-5-hydroxypiperazine-1-carboxylate
CID 174176969
tert-butyl 2-(1-hydroxybut-1-enyl)-4-methyl-5-oxopiperazine-1-carboxylate
CID 142382874

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-cyclobutyl-2-ethyl-5-oxopiperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-cyclobutyl-2-ethyl-5-oxopiperazine-1-carboxylate (CID 67362605) is tert-butyl 4-cyclobutyl-2-ethyl-5-oxopiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-cyclobutyl-2-ethyl-5-oxopiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-cyclobutyl-2-ethyl-5-oxopiperazine-1-carboxylate is CCC1CN(C2CCC2)C(=O)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-cyclobutyl-2-ethyl-5-oxopiperazine-1-carboxylate?
The InChIKey is QLMFZMLGROTUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-5-11-9-16(12-7-6-8-12)13(18)10-17(11)14(19)20-15(2,3)4/h11-12H,5-10H2,1-4H3.
What are the key properties of tert-butyl 4-cyclobutyl-2-ethyl-5-oxopiperazine-1-carboxylate?
tert-butyl 4-cyclobutyl-2-ethyl-5-oxopiperazine-1-carboxylate has a molecular weight of 282.38 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-cyclobutyl-2-ethyl-5-oxopiperazine-1-carboxylate is sourced from PubChem (CID 67362605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).