ethyl 1-(diethylcarbamoyl)piperidine-3-carboxylate

C13H24N2O3 — CID 2986637

IUPACethyl 1-(diethylcarbamoyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)N(CC)CC)C1
InChIInChI=1S/C13H24N2O3/c1-4-14(5-2)13(17)15-9-7-8-11(10-15)12(16)18-6-3/h11H,4-10H2,1-3H3
InChIKeyCZGJENCKFMIUFX-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.72
Rot. Bonds4

About ethyl 1-(diethylcarbamoyl)piperidine-3-carboxylate

ethyl 1-(diethylcarbamoyl)piperidine-3-carboxylate (PubChem CID 2986637) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is ethyl 1-(diethylcarbamoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(diethylcarbamoyl)piperidine-3-carboxylate
PubChem CID2986637
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nameethyl 1-(diethylcarbamoyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)N(CC)CC)C1
InChIInChI=1S/C13H24N2O3/c1-4-14(5-2)13(17)15-9-7-8-11(10-15)12(16)18-6-3/h11H,4-10H2,1-3H3
InChIKeyCZGJENCKFMIUFX-UHFFFAOYSA-N
XLogP1.72
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(diethylcarbamoyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(diethylcarbamoyl)piperidine-3-carboxylate (CID 2986637) is ethyl 1-(diethylcarbamoyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(diethylcarbamoyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(diethylcarbamoyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)N(CC)CC)C1.
What is the InChIKey of ethyl 1-(diethylcarbamoyl)piperidine-3-carboxylate?
The InChIKey is CZGJENCKFMIUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-14(5-2)13(17)15-9-7-8-11(10-15)12(16)18-6-3/h11H,4-10H2,1-3H3.
What are the key properties of ethyl 1-(diethylcarbamoyl)piperidine-3-carboxylate?
ethyl 1-(diethylcarbamoyl)piperidine-3-carboxylate has a molecular weight of 256.35 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(diethylcarbamoyl)piperidine-3-carboxylate is sourced from PubChem (CID 2986637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).