tert-butyl N-(2-oxo-1-propan-2-ylpiperidin-3-yl)carbamate

C13H24N2O3 — CID 66652060

IUPACtert-butyl N-(2-oxo-1-propan-2-ylpiperidin-3-yl)carbamate
SMILESCC(C)N1CCCC(NC(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C13H24N2O3/c1-9(2)15-8-6-7-10(11(15)16)14-12(17)18-13(3,4)5/h9-10H,6-8H2,1-5H3,(H,14,17)
InChIKeyRGKJPESVOSOEOC-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.91
Rot. Bonds2

About tert-butyl N-(2-oxo-1-propan-2-ylpiperidin-3-yl)carbamate

tert-butyl N-(2-oxo-1-propan-2-ylpiperidin-3-yl)carbamate (PubChem CID 66652060) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is tert-butyl N-(2-oxo-1-propan-2-ylpiperidin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-oxo-1-propan-2-ylpiperidin-3-yl)carbamate
PubChem CID66652060
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nametert-butyl N-(2-oxo-1-propan-2-ylpiperidin-3-yl)carbamate
SMILESCC(C)N1CCCC(NC(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C13H24N2O3/c1-9(2)15-8-6-7-10(11(15)16)14-12(17)18-13(3,4)5/h9-10H,6-8H2,1-5H3,(H,14,17)
InChIKeyRGKJPESVOSOEOC-UHFFFAOYSA-N
XLogP1.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-oxo-1-propan-2-ylpiperidin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(2-oxo-1-propan-2-ylpiperidin-3-yl)carbamate (CID 66652060) is tert-butyl N-(2-oxo-1-propan-2-ylpiperidin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-oxo-1-propan-2-ylpiperidin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-oxo-1-propan-2-ylpiperidin-3-yl)carbamate is CC(C)N1CCCC(NC(=O)OC(C)(C)C)C1=O.
What is the InChIKey of tert-butyl N-(2-oxo-1-propan-2-ylpiperidin-3-yl)carbamate?
The InChIKey is RGKJPESVOSOEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(2)15-8-6-7-10(11(15)16)14-12(17)18-13(3,4)5/h9-10H,6-8H2,1-5H3,(H,14,17).
What are the key properties of tert-butyl N-(2-oxo-1-propan-2-ylpiperidin-3-yl)carbamate?
tert-butyl N-(2-oxo-1-propan-2-ylpiperidin-3-yl)carbamate has a molecular weight of 256.35 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-oxo-1-propan-2-ylpiperidin-3-yl)carbamate is sourced from PubChem (CID 66652060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).