tert-butyl 4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate

C13H23N3O3 — CID 46344059

IUPACtert-butyl 4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2CCNC2=O)CC1
InChIInChI=1S/C13H23N3O3/c1-13(2,3)19-12(18)15-7-4-10(5-8-15)16-9-6-14-11(16)17/h10H,4-9H2,1-3H3,(H,14,17)
InChIKeyNPTZWFCKLAFHIL-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.41
Rot. Bonds1

About tert-butyl 4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate

tert-butyl 4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate (PubChem CID 46344059) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is tert-butyl 4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate
PubChem CID46344059
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Nametert-butyl 4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2CCNC2=O)CC1
InChIInChI=1S/C13H23N3O3/c1-13(2,3)19-12(18)15-7-4-10(5-8-15)16-9-6-14-11(16)17/h10H,4-9H2,1-3H3,(H,14,17)
InChIKeyNPTZWFCKLAFHIL-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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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate (CID 46344059) is tert-butyl 4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N2CCNC2=O)CC1.
What is the InChIKey of tert-butyl 4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate?
The InChIKey is NPTZWFCKLAFHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-13(2,3)19-12(18)15-7-4-10(5-8-15)16-9-6-14-11(16)17/h10H,4-9H2,1-3H3,(H,14,17).
What are the key properties of tert-butyl 4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate?
tert-butyl 4-(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 4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 46344059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).