ethyl 1-(diethylcarbamoyl)-4-oxopiperidine-3-carboxylate

C13H22N2O4 — CID 11311747

IUPACethyl 1-(diethylcarbamoyl)-4-oxopiperidine-3-carboxylate
SMILESCCOC(=O)C1CN(C(=O)N(CC)CC)CCC1=O
InChIInChI=1S/C13H22N2O4/c1-4-14(5-2)13(18)15-8-7-11(16)10(9-15)12(17)19-6-3/h10H,4-9H2,1-3H3
InChIKeyZRSYGXOPGNOBEK-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.90
Rot. Bonds4

About ethyl 1-(diethylcarbamoyl)-4-oxopiperidine-3-carboxylate

ethyl 1-(diethylcarbamoyl)-4-oxopiperidine-3-carboxylate (PubChem CID 11311747) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is ethyl 1-(diethylcarbamoyl)-4-oxopiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(diethylcarbamoyl)-4-oxopiperidine-3-carboxylate
PubChem CID11311747
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Nameethyl 1-(diethylcarbamoyl)-4-oxopiperidine-3-carboxylate
SMILESCCOC(=O)C1CN(C(=O)N(CC)CC)CCC1=O
InChIInChI=1S/C13H22N2O4/c1-4-14(5-2)13(18)15-8-7-11(16)10(9-15)12(17)19-6-3/h10H,4-9H2,1-3H3
InChIKeyZRSYGXOPGNOBEK-UHFFFAOYSA-N
XLogP0.90
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

CID 11276893
CID 11276893
CID 3670313
CID 3670313
CID 6420876
CID 6420876
CID 6602939
CID 6602939
CID 421876
CID 421876
CID 133063412
CID 133063412
CID 12445847
CID 12445847
CID 13784118
CID 13784118
CID 15529903
CID 15529903
CID 16719542
CID 16719542
CID 49759255
CID 49759255
CID 91239412
CID 91239412

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(diethylcarbamoyl)-4-oxopiperidine-3-carboxylate?
The IUPAC name of ethyl 1-(diethylcarbamoyl)-4-oxopiperidine-3-carboxylate (CID 11311747) is ethyl 1-(diethylcarbamoyl)-4-oxopiperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(diethylcarbamoyl)-4-oxopiperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(diethylcarbamoyl)-4-oxopiperidine-3-carboxylate is CCOC(=O)C1CN(C(=O)N(CC)CC)CCC1=O.
What is the InChIKey of ethyl 1-(diethylcarbamoyl)-4-oxopiperidine-3-carboxylate?
The InChIKey is ZRSYGXOPGNOBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-4-14(5-2)13(18)15-8-7-11(16)10(9-15)12(17)19-6-3/h10H,4-9H2,1-3H3.
What are the key properties of ethyl 1-(diethylcarbamoyl)-4-oxopiperidine-3-carboxylate?
ethyl 1-(diethylcarbamoyl)-4-oxopiperidine-3-carboxylate has a molecular weight of 270.33 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(diethylcarbamoyl)-4-oxopiperidine-3-carboxylate is sourced from PubChem (CID 11311747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).