tert-butyl 2-(2-methoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylate

C12H20N2O5 — CID 2986153

IUPACtert-butyl 2-(2-methoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylate
SMILESCOC(=O)CC1C(=O)NCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H20N2O5/c1-12(2,3)19-11(17)14-6-5-13-10(16)8(14)7-9(15)18-4/h8H,5-7H2,1-4H3,(H,13,16)
InChIKeyIEIGHVVRJBQGSY-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.28
Rot. Bonds2

About tert-butyl 2-(2-methoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylate

tert-butyl 2-(2-methoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylate (PubChem CID 2986153) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is tert-butyl 2-(2-methoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2-methoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylate
PubChem CID2986153
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Nametert-butyl 2-(2-methoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylate
SMILESCOC(=O)CC1C(=O)NCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H20N2O5/c1-12(2,3)19-11(17)14-6-5-13-10(16)8(14)7-9(15)18-4/h8H,5-7H2,1-4H3,(H,13,16)
InChIKeyIEIGHVVRJBQGSY-UHFFFAOYSA-N
XLogP0.28
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxopiperazin-2-yl]acetic acid
CID 2756051
tert-butyl 3-oxo-2-(2-oxo-2-propoxyethyl)piperazine-1-carboxylate
CID 3161315
tert-butyl (2S)-3-oxo-2-[2-oxo-2-(3-phenylpropoxy)ethyl]piperazine-1-carboxylate
CID 7425634
tert-butyl (2R)-3-oxo-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperazine-1-carboxylate
CID 7425635
methyl 2-[1-[(2E,4E)-hexa-2,4-dienoyl]-3-oxopiperazin-2-yl]acetate
CID 43074138
methyl 2-[(2R)-1-(3,5-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetate
CID 2431498
methyl 2-[3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetate
CID 656047
methyl 2-[1-(2,6-difluorobenzoyl)-3-oxopiperazin-2-yl]acetate
CID 3994011
methyl 2-[1-[2-(4-chlorophenyl)sulfanylacetyl]-3-oxopiperazin-2-yl]acetate
CID 17036218
2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-2-yl]-3-oxopiperazin-2-yl]acetic acid
CID 174799524
methyl 2-[1-[(4-methylbenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate
CID 4927027
methyl 2-[(2S)-1-[(2S)-2-(4-methylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate
CID 94182170

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-methoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylate?
The IUPAC name of tert-butyl 2-(2-methoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylate (CID 2986153) is tert-butyl 2-(2-methoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(2-methoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(2-methoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylate is COC(=O)CC1C(=O)NCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(2-methoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylate?
The InChIKey is IEIGHVVRJBQGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-12(2,3)19-11(17)14-6-5-13-10(16)8(14)7-9(15)18-4/h8H,5-7H2,1-4H3,(H,13,16).
What are the key properties of tert-butyl 2-(2-methoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylate?
tert-butyl 2-(2-methoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylate has a molecular weight of 272.30 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-methoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylate is sourced from PubChem (CID 2986153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).