diethyl 2-(2-ethylpiperidin-1-yl)propanedioate

C14H25NO4 — CID 22743907

IUPACdiethyl 2-(2-ethylpiperidin-1-yl)propanedioate
SMILESCCOC(=O)C(C(=O)OCC)N1CCCCC1CC
InChIInChI=1S/C14H25NO4/c1-4-11-9-7-8-10-15(11)12(13(16)18-5-2)14(17)19-6-3/h11-12H,4-10H2,1-3H3
InChIKeySDTMIUZTSZWABV-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.75
Rot. Bonds6

About diethyl 2-(2-ethylpiperidin-1-yl)propanedioate

diethyl 2-(2-ethylpiperidin-1-yl)propanedioate (PubChem CID 22743907) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is diethyl 2-(2-ethylpiperidin-1-yl)propanedioate.

Molecular Properties

Compound Namediethyl 2-(2-ethylpiperidin-1-yl)propanedioate
PubChem CID22743907
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Namediethyl 2-(2-ethylpiperidin-1-yl)propanedioate
SMILESCCOC(=O)C(C(=O)OCC)N1CCCCC1CC
InChIInChI=1S/C14H25NO4/c1-4-11-9-7-8-10-15(11)12(13(16)18-5-2)14(17)19-6-3/h11-12H,4-10H2,1-3H3
InChIKeySDTMIUZTSZWABV-UHFFFAOYSA-N
XLogP1.75
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Dimethyl 2-(2,2,6,6-tetramethylpiperidin-1-yl)propanedioate
CID 10945553
Methyl 3-(1-ethoxyethylideneaminooxy)-2-piperidinopropionate
CID 129805425
1-Piperidineacetic acid, alpha,2-diethyl-, ethyl ester
CID 607694
2-(2-Methyl-piperidin-1-yl)-propionic acid, methyl ester
CID 5744385
Ethyl 2-piperidin-1-ylpropanoate
CID 3807039
diethyl (N-cyclohexyl-N-methylamino)malonate
CID 13251324
Diethyl (4-pentylpiperidin-1-yl)propanedioate
CID 13418214
Diethyl (morpholin-4-yl)propanedioate
CID 13493499
Methyl 2-(2,6-dimethylpiperidin-1-yl)acetate
CID 14810579
Diethyl (dipropylamino)propanedioate
CID 15744966
2-(2-Ethylpiperidin-1-yl)propanedioic acid
CID 17921924
Ethyl 3-oxo-2-piperidin-1-ylbutanoate
CID 20260767

Frequently Asked Questions

What is the IUPAC name of diethyl 2-(2-ethylpiperidin-1-yl)propanedioate?
The IUPAC name of diethyl 2-(2-ethylpiperidin-1-yl)propanedioate (CID 22743907) is diethyl 2-(2-ethylpiperidin-1-yl)propanedioate.
What is the SMILES notation for diethyl 2-(2-ethylpiperidin-1-yl)propanedioate?
The canonical SMILES for diethyl 2-(2-ethylpiperidin-1-yl)propanedioate is CCOC(=O)C(C(=O)OCC)N1CCCCC1CC.
What is the InChIKey of diethyl 2-(2-ethylpiperidin-1-yl)propanedioate?
The InChIKey is SDTMIUZTSZWABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-4-11-9-7-8-10-15(11)12(13(16)18-5-2)14(17)19-6-3/h11-12H,4-10H2,1-3H3.
What are the key properties of diethyl 2-(2-ethylpiperidin-1-yl)propanedioate?
diethyl 2-(2-ethylpiperidin-1-yl)propanedioate has a molecular weight of 271.36 g/mol, XLogP of 1.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(2-ethylpiperidin-1-yl)propanedioate is sourced from PubChem (CID 22743907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).