tert-butyl 3-oxopiperazine-1-carboxylate

C9H16N2O3 — CID 3157178

IUPACtert-butyl 3-oxopiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNC(=O)C1
InChIInChI=1S/C9H16N2O3/c1-9(2,3)14-8(13)11-5-4-10-7(12)6-11/h4-6H2,1-3H3,(H,10,12)
InChIKeyFCMLWBBLOASUSO-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.35
Rot. Bonds

About tert-butyl 3-oxopiperazine-1-carboxylate

tert-butyl 3-oxopiperazine-1-carboxylate (PubChem CID 3157178) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is tert-butyl 3-oxopiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-oxopiperazine-1-carboxylate
PubChem CID3157178
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Nametert-butyl 3-oxopiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNC(=O)C1
InChIInChI=1S/C9H16N2O3/c1-9(2,3)14-8(13)11-5-4-10-7(12)6-11/h4-6H2,1-3H3,(H,10,12)
InChIKeyFCMLWBBLOASUSO-UHFFFAOYSA-N
XLogP0.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-1-Boc-3-methylpiperazine
CID 7023035
tert-Butyl (2S)-2-methylpiperazine-1-carboxylate
CID 10081508
tert-Butyl piperazine-1-carboxylate
CID 143452
[2-[[2-(4-tert-Butoxycarbonylpiperazin-1-yl)-2-oxo-ethyl]amino]-2-oxo-ethyl]-dimethylsulfonium bromide (1m)
CID 73774929
1-(2-N-Boc-aminoethyl)piperazine
CID 1514401
tert-Butyl 3-methylpiperazine-1-carboxylate
CID 2756810
1-Boc-3,3-dimethylpiperazine
CID 22710387
(R)-1-Boc-3-methylpiperazine
CID 2756811
(s)-Tert-butyl 3-(tert-butylcarbamoyl)piperazine-1-carboxylate
CID 9882310
tert-Butyl 4-(2-aminoethyl)piperazine-1-carboxylate
CID 1514400
Tert-butyl (2-(isopropylamino)-2-oxoethyl)carbamate
CID 21034185
Tert-butyl 7-oxo-2,5,8-triazaspiro[3.5]nonane-2-carboxylate
CID 124249171

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-oxopiperazine-1-carboxylate?
The IUPAC name of tert-butyl 3-oxopiperazine-1-carboxylate (CID 3157178) is tert-butyl 3-oxopiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-oxopiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 3-oxopiperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCNC(=O)C1.
What is the InChIKey of tert-butyl 3-oxopiperazine-1-carboxylate?
The InChIKey is FCMLWBBLOASUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-9(2,3)14-8(13)11-5-4-10-7(12)6-11/h4-6H2,1-3H3,(H,10,12).
What are the key properties of tert-butyl 3-oxopiperazine-1-carboxylate?
tert-butyl 3-oxopiperazine-1-carboxylate has a molecular weight of 200.24 g/mol, XLogP of 0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-oxopiperazine-1-carboxylate is sourced from PubChem (CID 3157178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).