tert-butyl 3-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate

C13H23N3O3 — CID 118114407

IUPACtert-butyl 3-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(N2CCNC2=O)C1
InChIInChI=1S/C13H23N3O3/c1-13(2,3)19-12(18)15-7-4-5-10(9-15)16-8-6-14-11(16)17/h10H,4-9H2,1-3H3,(H,14,17)
InChIKeyHPWXGNGPTYKBGV-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.41
Rot. Bonds1

About tert-butyl 3-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate

tert-butyl 3-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate (PubChem CID 118114407) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is tert-butyl 3-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate
PubChem CID118114407
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Nametert-butyl 3-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(N2CCNC2=O)C1
InChIInChI=1S/C13H23N3O3/c1-13(2,3)19-12(18)15-7-4-5-10(9-15)16-8-6-14-11(16)17/h10H,4-9H2,1-3H3,(H,14,17)
InChIKeyHPWXGNGPTYKBGV-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidine-1-carboxylate
CID 118114841
tert-butyl 3-(3-methyl-2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxylate
CID 118114997
tert-butyl 4-(2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxylate
CID 53432568
tert-butyl 3-(4-amino-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 168698716
tert-butyl (3S,4R)-3-methoxy-4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate
CID 122455643
tert-butyl (3S)-3-[(3S,4S)-3,4-dimethyl-2,5-dioxopyrrolidin-1-yl]piperidine-1-carboxylate
CID 138622117
tert-butyl 3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 138622116
tert-butyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 168683488
tert-butyl 3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
CID 170992985
tert-butyl (3R,4S)-4-fluoro-3-hydroxyazepane-1-carboxylate
CID 124556161
tert-butyl (3S)-3-(3-aminoazetidin-1-yl)piperidine-1-carboxylate
CID 86317604
tert-butyl (3S)-3-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate
CID 129353870

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate (CID 118114407) is tert-butyl 3-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(N2CCNC2=O)C1.
What is the InChIKey of tert-butyl 3-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate?
The InChIKey is HPWXGNGPTYKBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-13(2,3)19-12(18)15-7-4-5-10(9-15)16-8-6-14-11(16)17/h10H,4-9H2,1-3H3,(H,14,17).
What are the key properties of tert-butyl 3-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate?
tert-butyl 3-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate has a molecular weight of 269.34 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 118114407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).