ethyl N-(2-oxopiperidin-1-yl)carbamate

C8H14N2O3 — CID 130667118

IUPACethyl N-(2-oxopiperidin-1-yl)carbamate
SMILESCCOC(=O)NN1CCCCC1=O
InChIInChI=1S/C8H14N2O3/c1-2-13-8(12)9-10-6-4-3-5-7(10)11/h2-6H2,1H3,(H,9,12)
InChIKeyKTNMVNZURBTEHU-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.66
Rot. Bonds2

About ethyl N-(2-oxopiperidin-1-yl)carbamate

ethyl N-(2-oxopiperidin-1-yl)carbamate (PubChem CID 130667118) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is ethyl N-(2-oxopiperidin-1-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(2-oxopiperidin-1-yl)carbamate
PubChem CID130667118
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Nameethyl N-(2-oxopiperidin-1-yl)carbamate
SMILESCCOC(=O)NN1CCCCC1=O
InChIInChI=1S/C8H14N2O3/c1-2-13-8(12)9-10-6-4-3-5-7(10)11/h2-6H2,1H3,(H,9,12)
InChIKeyKTNMVNZURBTEHU-UHFFFAOYSA-N
XLogP0.66
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl N-(2-oxopiperidin-1-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-oxopiperidin-1-yl)carbamate?
The IUPAC name of ethyl N-(2-oxopiperidin-1-yl)carbamate (CID 130667118) is ethyl N-(2-oxopiperidin-1-yl)carbamate.
What is the SMILES notation for ethyl N-(2-oxopiperidin-1-yl)carbamate?
The canonical SMILES for ethyl N-(2-oxopiperidin-1-yl)carbamate is CCOC(=O)NN1CCCCC1=O.
What is the InChIKey of ethyl N-(2-oxopiperidin-1-yl)carbamate?
The InChIKey is KTNMVNZURBTEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-2-13-8(12)9-10-6-4-3-5-7(10)11/h2-6H2,1H3,(H,9,12).
What are the key properties of ethyl N-(2-oxopiperidin-1-yl)carbamate?
ethyl N-(2-oxopiperidin-1-yl)carbamate has a molecular weight of 186.21 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-oxopiperidin-1-yl)carbamate is sourced from PubChem (CID 130667118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).