tert-butyl 2-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate

C13H23N3O3 — CID 141313979

IUPACtert-butyl 2-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1N1CCNC1=O
InChIInChI=1S/C13H23N3O3/c1-13(2,3)19-12(18)16-8-5-4-6-10(16)15-9-7-14-11(15)17/h10H,4-9H2,1-3H3,(H,14,17)
InChIKeyOQMRXRDPBPUDRQ-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.76
Rot. Bonds1

About tert-butyl 2-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate

tert-butyl 2-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate (PubChem CID 141313979) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is tert-butyl 2-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate
PubChem CID141313979
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Nametert-butyl 2-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1N1CCNC1=O
InChIInChI=1S/C13H23N3O3/c1-13(2,3)19-12(18)16-8-5-4-6-10(16)15-9-7-14-11(15)17/h10H,4-9H2,1-3H3,(H,14,17)
InChIKeyOQMRXRDPBPUDRQ-UHFFFAOYSA-N
XLogP1.76
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
CID 154707076
tert-butyl (2S)-2-pyrrolidin-1-ylpyrrolidine-1-carboxylate
CID 142630870
tert-butyl 3-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate
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tert-butyl 2-methylpiperidine-1-carboxylate;ethane
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tert-butyl 2-piperidin-4-ylazepane-1-carboxylate
CID 64612498
tert-butyl (2R)-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pyrrolidine-1-carboxylate
CID 101323143
tert-butyl 2-cyclohexylpiperidine-1-carboxylate
CID 164666573
tert-butyl 4-(2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxylate
CID 53432568
tert-butyl 2-(2,6-dioxocyclohexyl)piperidine-1-carboxylate
CID 103845860
tert-butyl 2,3,3a,5,6,7,8,8a-octahydro-1H-pyrrolo[3,2-b]azepine-4-carboxylate
CID 118488087

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate (CID 141313979) is tert-butyl 2-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1N1CCNC1=O.
What is the InChIKey of tert-butyl 2-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate?
The InChIKey is OQMRXRDPBPUDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-13(2,3)19-12(18)16-8-5-4-6-10(16)15-9-7-14-11(15)17/h10H,4-9H2,1-3H3,(H,14,17).
What are the key properties of tert-butyl 2-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate?
tert-butyl 2-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate has a molecular weight of 269.34 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 141313979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).