propan-2-yl N-(2-oxopiperidin-3-yl)carbamate

C9H16N2O3 — CID 116655470

IUPACpropan-2-yl N-(2-oxopiperidin-3-yl)carbamate
SMILESCC(C)OC(=O)NC1CCCNC1=O
InChIInChI=1S/C9H16N2O3/c1-6(2)14-9(13)11-7-4-3-5-10-8(7)12/h6-7H,3-5H2,1-2H3,(H,10,12)(H,11,13)
InChIKeyOCFNPFMDMYTHJQ-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.40
Rot. Bonds2

About propan-2-yl N-(2-oxopiperidin-3-yl)carbamate

propan-2-yl N-(2-oxopiperidin-3-yl)carbamate (PubChem CID 116655470) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is propan-2-yl N-(2-oxopiperidin-3-yl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(2-oxopiperidin-3-yl)carbamate
PubChem CID116655470
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Namepropan-2-yl N-(2-oxopiperidin-3-yl)carbamate
SMILESCC(C)OC(=O)NC1CCCNC1=O
InChIInChI=1S/C9H16N2O3/c1-6(2)14-9(13)11-7-4-3-5-10-8(7)12/h6-7H,3-5H2,1-2H3,(H,10,12)(H,11,13)
InChIKeyOCFNPFMDMYTHJQ-UHFFFAOYSA-N
XLogP0.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(2-oxopiperidin-3-yl)carbamate?
The IUPAC name of propan-2-yl N-(2-oxopiperidin-3-yl)carbamate (CID 116655470) is propan-2-yl N-(2-oxopiperidin-3-yl)carbamate.
What is the SMILES notation for propan-2-yl N-(2-oxopiperidin-3-yl)carbamate?
The canonical SMILES for propan-2-yl N-(2-oxopiperidin-3-yl)carbamate is CC(C)OC(=O)NC1CCCNC1=O.
What is the InChIKey of propan-2-yl N-(2-oxopiperidin-3-yl)carbamate?
The InChIKey is OCFNPFMDMYTHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-6(2)14-9(13)11-7-4-3-5-10-8(7)12/h6-7H,3-5H2,1-2H3,(H,10,12)(H,11,13).
What are the key properties of propan-2-yl N-(2-oxopiperidin-3-yl)carbamate?
propan-2-yl N-(2-oxopiperidin-3-yl)carbamate has a molecular weight of 200.24 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(2-oxopiperidin-3-yl)carbamate is sourced from PubChem (CID 116655470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).