methyl 2-ethyl-4-oxopiperidine-1-carboxylate

C9H15NO3 — CID 86049669

IUPACmethyl 2-ethyl-4-oxopiperidine-1-carboxylate
SMILESCCC1CC(=O)CCN1C(=O)OC
InChIInChI=1S/C9H15NO3/c1-3-7-6-8(11)4-5-10(7)9(12)13-2/h7H,3-6H2,1-2H3
InChIKeySLCQOTKVSKUZIF-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.20
Rot. Bonds1

About methyl 2-ethyl-4-oxopiperidine-1-carboxylate

methyl 2-ethyl-4-oxopiperidine-1-carboxylate (PubChem CID 86049669) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl 2-ethyl-4-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-4-oxopiperidine-1-carboxylate
PubChem CID86049669
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl 2-ethyl-4-oxopiperidine-1-carboxylate
SMILESCCC1CC(=O)CCN1C(=O)OC
InChIInChI=1S/C9H15NO3/c1-3-7-6-8(11)4-5-10(7)9(12)13-2/h7H,3-6H2,1-2H3
InChIKeySLCQOTKVSKUZIF-UHFFFAOYSA-N
XLogP1.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-4-oxopiperidine-1-carboxylate?
The IUPAC name of methyl 2-ethyl-4-oxopiperidine-1-carboxylate (CID 86049669) is methyl 2-ethyl-4-oxopiperidine-1-carboxylate.
What is the SMILES notation for methyl 2-ethyl-4-oxopiperidine-1-carboxylate?
The canonical SMILES for methyl 2-ethyl-4-oxopiperidine-1-carboxylate is CCC1CC(=O)CCN1C(=O)OC.
What is the InChIKey of methyl 2-ethyl-4-oxopiperidine-1-carboxylate?
The InChIKey is SLCQOTKVSKUZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-3-7-6-8(11)4-5-10(7)9(12)13-2/h7H,3-6H2,1-2H3.
What are the key properties of methyl 2-ethyl-4-oxopiperidine-1-carboxylate?
methyl 2-ethyl-4-oxopiperidine-1-carboxylate has a molecular weight of 185.22 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-4-oxopiperidine-1-carboxylate is sourced from PubChem (CID 86049669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).