tert-butyl 2-(2-oxoethyl)piperazine-1-carboxylate

C11H20N2O3 — CID 156743978

IUPACtert-butyl 2-(2-oxoethyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNCC1CC=O
InChIInChI=1S/C11H20N2O3/c1-11(2,3)16-10(15)13-6-5-12-8-9(13)4-7-14/h7,9,12H,4-6,8H2,1-3H3
InChIKeyBPEIELOMFHPMHM-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.78
Rot. Bonds2

About tert-butyl 2-(2-oxoethyl)piperazine-1-carboxylate

tert-butyl 2-(2-oxoethyl)piperazine-1-carboxylate (PubChem CID 156743978) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is tert-butyl 2-(2-oxoethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2-oxoethyl)piperazine-1-carboxylate
PubChem CID156743978
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Nametert-butyl 2-(2-oxoethyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNCC1CC=O
InChIInChI=1S/C11H20N2O3/c1-11(2,3)16-10(15)13-6-5-12-8-9(13)4-7-14/h7,9,12H,4-6,8H2,1-3H3
InChIKeyBPEIELOMFHPMHM-UHFFFAOYSA-N
XLogP0.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (2R)-2-(hydroxymethyl)piperazine-1-carboxylate;hydrochloride
CID 45072229
tert-butyl 2-(2,2-difluoroethyl)piperazine-1-carboxylate
CID 84707228
tert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1-carboxylate
CID 12046236
tert-butyl 2-prop-2-ynylpiperazine-1-carboxylate
CID 141100068
tert-butyl 2-propylpiperazine-1-carboxylate;hydrochloride
CID 45073237
tert-butyl (2R)-2-(methylsulfonylmethyl)piperazine-1-carboxylate
CID 164740203
tert-butyl 2-methoxypiperazine-1-carboxylate
CID 101126129
tert-butyl 2-hydroxypiperazine-1-carboxylate
CID 45358354
tert-butyl (2R)-2-ethoxypiperazine-1-carboxylate
CID 175607983
tert-butyl (2S)-2-methylsulfanylpiperazine-1-carboxylate
CID 97170570
tert-butyl 7-(hydroxymethyl)-1,4-diazepane-1-carboxylate
CID 178201698
tert-butyl (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazine-1-carboxylate
CID 67773623

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-oxoethyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 2-(2-oxoethyl)piperazine-1-carboxylate (CID 156743978) is tert-butyl 2-(2-oxoethyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(2-oxoethyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(2-oxoethyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCNCC1CC=O.
What is the InChIKey of tert-butyl 2-(2-oxoethyl)piperazine-1-carboxylate?
The InChIKey is BPEIELOMFHPMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-11(2,3)16-10(15)13-6-5-12-8-9(13)4-7-14/h7,9,12H,4-6,8H2,1-3H3.
What are the key properties of tert-butyl 2-(2-oxoethyl)piperazine-1-carboxylate?
tert-butyl 2-(2-oxoethyl)piperazine-1-carboxylate has a molecular weight of 228.29 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-oxoethyl)piperazine-1-carboxylate is sourced from PubChem (CID 156743978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).