tert-butyl 3-oxo-2-[2-oxo-2-(oxolan-2-ylmethoxy)ethyl]piperazine-1-carboxylate

C16H26N2O6 — CID 4935531

IUPACtert-butyl 3-oxo-2-[2-oxo-2-(oxolan-2-ylmethoxy)ethyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNC(=O)C1CC(=O)OCC1CCCO1
InChIInChI=1S/C16H26N2O6/c1-16(2,3)24-15(21)18-7-6-17-14(20)12(18)9-13(19)23-10-11-5-4-8-22-11/h11-12H,4-10H2,1-3H3,(H,17,20)
InChIKeyIVPRTKUAVCJCST-UHFFFAOYSA-N
MW342.39 g/mol
LogP0.83
Rot. Bonds4

About tert-butyl 3-oxo-2-[2-oxo-2-(oxolan-2-ylmethoxy)ethyl]piperazine-1-carboxylate

tert-butyl 3-oxo-2-[2-oxo-2-(oxolan-2-ylmethoxy)ethyl]piperazine-1-carboxylate (PubChem CID 4935531) has the molecular formula C16H26N2O6 and a molecular weight of 342.39 g/mol. Its IUPAC name is tert-butyl 3-oxo-2-[2-oxo-2-(oxolan-2-ylmethoxy)ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-oxo-2-[2-oxo-2-(oxolan-2-ylmethoxy)ethyl]piperazine-1-carboxylate
PubChem CID4935531
Molecular FormulaC16H26N2O6
Molecular Weight342.39 g/mol
Exact Mass342.18
IUPAC Nametert-butyl 3-oxo-2-[2-oxo-2-(oxolan-2-ylmethoxy)ethyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNC(=O)C1CC(=O)OCC1CCCO1
InChIInChI=1S/C16H26N2O6/c1-16(2,3)24-15(21)18-7-6-17-14(20)12(18)9-13(19)23-10-11-5-4-8-22-11/h11-12H,4-10H2,1-3H3,(H,17,20)
InChIKeyIVPRTKUAVCJCST-UHFFFAOYSA-N
XLogP0.83
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 3-oxo-2-[2-oxo-2-(oxolan-2-ylmethoxy)ethyl]piperazine-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-(2-ethoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylate
CID 4935497
Tert-butyl 3-oxo-2-(2-oxo-2-propoxyethyl)piperazine-1-carboxylate
CID 3161315
Tetrahydro-2-furanylmethyl 2-(3-oxo-2-piperazinyl)acetate
CID 2996967
Oxolan-2-ylmethyl 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]acetate
CID 110283312
cyclohexyl (3S)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate
CID 132456438
[(2R)-oxolan-2-yl]methyl 2-[(2S)-3-oxopiperazin-2-yl]acetate
CID 1653185
N-(3-piperidyl)-3(R)-(tert-butoxycarbonylamino)succinamic acid ethyl ester
CID 53986216
tert-butyl 2-(2-ethoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylate;N,N-diethylethanamine
CID 69550980
Ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(piperidin-3-ylamino)butanoate
CID 70111270
butyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(oxan-4-ylamino)-4-oxobutanoate
CID 129226310
Tert-butyl 2-(2-cyclopentyloxy-2-oxoethyl)piperazine-1-carboxylate
CID 130308217
Tert-butyl 2-(2-ethoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylate;ethane
CID 143095291

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-oxo-2-[2-oxo-2-(oxolan-2-ylmethoxy)ethyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 3-oxo-2-[2-oxo-2-(oxolan-2-ylmethoxy)ethyl]piperazine-1-carboxylate (CID 4935531) is tert-butyl 3-oxo-2-[2-oxo-2-(oxolan-2-ylmethoxy)ethyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-oxo-2-[2-oxo-2-(oxolan-2-ylmethoxy)ethyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 3-oxo-2-[2-oxo-2-(oxolan-2-ylmethoxy)ethyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCNC(=O)C1CC(=O)OCC1CCCO1.
What is the InChIKey of tert-butyl 3-oxo-2-[2-oxo-2-(oxolan-2-ylmethoxy)ethyl]piperazine-1-carboxylate?
The InChIKey is IVPRTKUAVCJCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O6/c1-16(2,3)24-15(21)18-7-6-17-14(20)12(18)9-13(19)23-10-11-5-4-8-22-11/h11-12H,4-10H2,1-3H3,(H,17,20).
What are the key properties of tert-butyl 3-oxo-2-[2-oxo-2-(oxolan-2-ylmethoxy)ethyl]piperazine-1-carboxylate?
tert-butyl 3-oxo-2-[2-oxo-2-(oxolan-2-ylmethoxy)ethyl]piperazine-1-carboxylate has a molecular weight of 342.39 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-oxo-2-[2-oxo-2-(oxolan-2-ylmethoxy)ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 4935531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).