tert-butyl 2-ethyl-4-oxopiperidine-1-carboxylate

C12H21NO3 — CID 22495585

IUPACtert-butyl 2-ethyl-4-oxopiperidine-1-carboxylate
SMILESCCC1CC(=O)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO3/c1-5-9-8-10(14)6-7-13(9)11(15)16-12(2,3)4/h9H,5-8H2,1-4H3
InChIKeyGJZHXLNQQNAXNW-UHFFFAOYSA-N
MW227.30 g/mol
LogP2.37
Rot. Bonds1

About tert-butyl 2-ethyl-4-oxopiperidine-1-carboxylate

tert-butyl 2-ethyl-4-oxopiperidine-1-carboxylate (PubChem CID 22495585) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is tert-butyl 2-ethyl-4-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-ethyl-4-oxopiperidine-1-carboxylate
PubChem CID22495585
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Nametert-butyl 2-ethyl-4-oxopiperidine-1-carboxylate
SMILESCCC1CC(=O)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO3/c1-5-9-8-10(14)6-7-13(9)11(15)16-12(2,3)4/h9H,5-8H2,1-4H3
InChIKeyGJZHXLNQQNAXNW-UHFFFAOYSA-N
XLogP2.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-ethyl-4-oxopiperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-ethyl-4-oxopiperidine-1-carboxylate (CID 22495585) is tert-butyl 2-ethyl-4-oxopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-ethyl-4-oxopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-ethyl-4-oxopiperidine-1-carboxylate is CCC1CC(=O)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-ethyl-4-oxopiperidine-1-carboxylate?
The InChIKey is GJZHXLNQQNAXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-5-9-8-10(14)6-7-13(9)11(15)16-12(2,3)4/h9H,5-8H2,1-4H3.
What are the key properties of tert-butyl 2-ethyl-4-oxopiperidine-1-carboxylate?
tert-butyl 2-ethyl-4-oxopiperidine-1-carboxylate has a molecular weight of 227.30 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-ethyl-4-oxopiperidine-1-carboxylate is sourced from PubChem (CID 22495585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).