ethyl 3-ethoxy-4-oxopiperidine-1-carboxylate

C10H17NO4 — CID 15096763

IUPACethyl 3-ethoxy-4-oxopiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(=O)C(OCC)C1
InChIInChI=1S/C10H17NO4/c1-3-14-9-7-11(6-5-8(9)12)10(13)15-4-2/h9H,3-7H2,1-2H3
InChIKeyQERAJLUAMHVYTO-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.82
Rot. Bonds3

About ethyl 3-ethoxy-4-oxopiperidine-1-carboxylate

ethyl 3-ethoxy-4-oxopiperidine-1-carboxylate (PubChem CID 15096763) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is ethyl 3-ethoxy-4-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-ethoxy-4-oxopiperidine-1-carboxylate
PubChem CID15096763
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Nameethyl 3-ethoxy-4-oxopiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(=O)C(OCC)C1
InChIInChI=1S/C10H17NO4/c1-3-14-9-7-11(6-5-8(9)12)10(13)15-4-2/h9H,3-7H2,1-2H3
InChIKeyQERAJLUAMHVYTO-UHFFFAOYSA-N
XLogP0.82
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(2-methoxyethoxy)-4-oxopiperidine-1-carboxylate
CID 45122540
ethyl (3S)-3-methyl-4-oxopiperidine-1-carboxylate
CID 34180905
CID 88566510
CID 88566510
ethyl 4-oxopiperidine-1-carboxylate;methane
CID 143127714
tert-butyl (3R)-3-methoxy-4-oxopiperidine-1-carboxylate
CID 86318470
tert-butyl (3R)-3-(2-ethoxy-2-oxoacetyl)-4-oxopiperidine-1-carboxylate
CID 98047446
ethyl (3S)-3-(4-oxopiperidin-1-yl)pyrrolidine-1-carboxylate
CID 59403066
ethyl (3S,4R)-4-amino-3-ethoxypiperidine-1-carboxylate
CID 54237477
diethyl 3-oxopyrrolidine-1,2-dicarboxylate
CID 15618374
tert-butyl 4-oxo-3-propan-2-yloxypiperidine-1-carboxylate
CID 67548859
benzyl (3R)-3-butyl-4-oxopiperidine-1-carboxylate
CID 124678777
ethyl 5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate
CID 59789428

Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethoxy-4-oxopiperidine-1-carboxylate?
The IUPAC name of ethyl 3-ethoxy-4-oxopiperidine-1-carboxylate (CID 15096763) is ethyl 3-ethoxy-4-oxopiperidine-1-carboxylate.
What is the SMILES notation for ethyl 3-ethoxy-4-oxopiperidine-1-carboxylate?
The canonical SMILES for ethyl 3-ethoxy-4-oxopiperidine-1-carboxylate is CCOC(=O)N1CCC(=O)C(OCC)C1.
What is the InChIKey of ethyl 3-ethoxy-4-oxopiperidine-1-carboxylate?
The InChIKey is QERAJLUAMHVYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-3-14-9-7-11(6-5-8(9)12)10(13)15-4-2/h9H,3-7H2,1-2H3.
What are the key properties of ethyl 3-ethoxy-4-oxopiperidine-1-carboxylate?
ethyl 3-ethoxy-4-oxopiperidine-1-carboxylate has a molecular weight of 215.25 g/mol, XLogP of 0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethoxy-4-oxopiperidine-1-carboxylate is sourced from PubChem (CID 15096763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).