ethyl 2-oxopiperidine-1-carboxylate

C8H13NO3 — CID 13303317

IUPACethyl 2-oxopiperidine-1-carboxylate
SMILESCCOC(=O)N1CCCCC1=O
InChIInChI=1S/C8H13NO3/c1-2-12-8(11)9-6-4-3-5-7(9)10/h2-6H2,1H3
InChIKeyCMVAYPJYRXHDOB-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.16
Rot. Bonds1

About ethyl 2-oxopiperidine-1-carboxylate

ethyl 2-oxopiperidine-1-carboxylate (PubChem CID 13303317) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is ethyl 2-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxopiperidine-1-carboxylate
PubChem CID13303317
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Nameethyl 2-oxopiperidine-1-carboxylate
SMILESCCOC(=O)N1CCCCC1=O
InChIInChI=1S/C8H13NO3/c1-2-12-8(11)9-6-4-3-5-7(9)10/h2-6H2,1H3
InChIKeyCMVAYPJYRXHDOB-UHFFFAOYSA-N
XLogP1.16
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxopiperidine-1-carboxylate?
The IUPAC name of ethyl 2-oxopiperidine-1-carboxylate (CID 13303317) is ethyl 2-oxopiperidine-1-carboxylate.
What is the SMILES notation for ethyl 2-oxopiperidine-1-carboxylate?
The canonical SMILES for ethyl 2-oxopiperidine-1-carboxylate is CCOC(=O)N1CCCCC1=O.
What is the InChIKey of ethyl 2-oxopiperidine-1-carboxylate?
The InChIKey is CMVAYPJYRXHDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-2-12-8(11)9-6-4-3-5-7(9)10/h2-6H2,1H3.
What are the key properties of ethyl 2-oxopiperidine-1-carboxylate?
ethyl 2-oxopiperidine-1-carboxylate has a molecular weight of 171.20 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxopiperidine-1-carboxylate is sourced from PubChem (CID 13303317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).