[(3S)-2-oxopiperidin-3-yl] N-tert-butylcarbamate

C10H18N2O3 — CID 54290526

IUPAC[(3S)-2-oxopiperidin-3-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)O[C@H]1CCCNC1=O
InChIInChI=1S/C10H18N2O3/c1-10(2,3)12-9(14)15-7-5-4-6-11-8(7)13/h7H,4-6H2,1-3H3,(H,11,13)(H,12,14)/t7-/m0/s1
InChIKeyRXEJHVRSUVMFPY-ZETCQYMHSA-N
MW214.26 g/mol
LogP0.79
Rot. Bonds1

About [(3S)-2-oxopiperidin-3-yl] N-tert-butylcarbamate

[(3S)-2-oxopiperidin-3-yl] N-tert-butylcarbamate (PubChem CID 54290526) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is [(3S)-2-oxopiperidin-3-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(3S)-2-oxopiperidin-3-yl] N-tert-butylcarbamate
PubChem CID54290526
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name[(3S)-2-oxopiperidin-3-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)O[C@H]1CCCNC1=O
InChIInChI=1S/C10H18N2O3/c1-10(2,3)12-9(14)15-7-5-4-6-11-8(7)13/h7H,4-6H2,1-3H3,(H,11,13)(H,12,14)/t7-/m0/s1
InChIKeyRXEJHVRSUVMFPY-ZETCQYMHSA-N
XLogP0.79
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S)-2-oxopiperidin-3-yl] N-tert-butylcarbamate?
The IUPAC name of [(3S)-2-oxopiperidin-3-yl] N-tert-butylcarbamate (CID 54290526) is [(3S)-2-oxopiperidin-3-yl] N-tert-butylcarbamate.
What is the SMILES notation for [(3S)-2-oxopiperidin-3-yl] N-tert-butylcarbamate?
The canonical SMILES for [(3S)-2-oxopiperidin-3-yl] N-tert-butylcarbamate is CC(C)(C)NC(=O)O[C@H]1CCCNC1=O.
What is the InChIKey of [(3S)-2-oxopiperidin-3-yl] N-tert-butylcarbamate?
The InChIKey is RXEJHVRSUVMFPY-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-10(2,3)12-9(14)15-7-5-4-6-11-8(7)13/h7H,4-6H2,1-3H3,(H,11,13)(H,12,14)/t7-/m0/s1.
What are the key properties of [(3S)-2-oxopiperidin-3-yl] N-tert-butylcarbamate?
[(3S)-2-oxopiperidin-3-yl] N-tert-butylcarbamate has a molecular weight of 214.26 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-oxopiperidin-3-yl] N-tert-butylcarbamate is sourced from PubChem (CID 54290526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).