diethyl 2-(2-piperidin-4-ylethyl)propanedioate

C14H25NO4 — CID 57155204

IUPACdiethyl 2-(2-piperidin-4-ylethyl)propanedioate
SMILESCCOC(=O)C(CCC1CCNCC1)C(=O)OCC
InChIInChI=1S/C14H25NO4/c1-3-18-13(16)12(14(17)19-4-2)6-5-11-7-9-15-10-8-11/h11-12,15H,3-10H2,1-2H3
InChIKeyVQAUVDZDVPODHP-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.51
Rot. Bonds7

About diethyl 2-(2-piperidin-4-ylethyl)propanedioate

diethyl 2-(2-piperidin-4-ylethyl)propanedioate (PubChem CID 57155204) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is diethyl 2-(2-piperidin-4-ylethyl)propanedioate.

Molecular Properties

Compound Namediethyl 2-(2-piperidin-4-ylethyl)propanedioate
PubChem CID57155204
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Namediethyl 2-(2-piperidin-4-ylethyl)propanedioate
SMILESCCOC(=O)C(CCC1CCNCC1)C(=O)OCC
InChIInChI=1S/C14H25NO4/c1-3-18-13(16)12(14(17)19-4-2)6-5-11-7-9-15-10-8-11/h11-12,15H,3-10H2,1-2H3
InChIKeyVQAUVDZDVPODHP-UHFFFAOYSA-N
XLogP1.51
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze diethyl 2-(2-piperidin-4-ylethyl)propanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-cyclopropyl-2-ethoxycarbonylbutanoic acid
CID 103973612
ethyl 4-piperidin-4-ylbutanoate
CID 10631848
ethyl 3-piperidin-4-ylpropanoate;hydrochloride
CID 23062703
3-ethoxy-3-oxo-2-(pyrrolidin-3-ylmethyl)propanoic acid
CID 70398135
2-piperidin-4-ylethyl butanoate
CID 174737441
2-piperidin-4-ylethyl propanoate
CID 53408774
ethyl 3-(azepan-4-yl)propanoate;hydrochloride
CID 126845771
ethyl 2-[cyclopropyl(piperidin-4-ylmethyl)amino]pentanoate
CID 83050233
2-methyl-4-piperidin-4-ylbutanoic acid;hydrochloride
CID 162322945
ethyl 2-piperidin-4-yloxypentanoate
CID 106939245
ethyl (2S)-4-cyclohexyl-2-methylbutanoate
CID 59355198
ethyl 2-fluoro-2-piperidin-4-ylacetate;hydrochloride
CID 134163152

Frequently Asked Questions

What is the IUPAC name of diethyl 2-(2-piperidin-4-ylethyl)propanedioate?
The IUPAC name of diethyl 2-(2-piperidin-4-ylethyl)propanedioate (CID 57155204) is diethyl 2-(2-piperidin-4-ylethyl)propanedioate.
What is the SMILES notation for diethyl 2-(2-piperidin-4-ylethyl)propanedioate?
The canonical SMILES for diethyl 2-(2-piperidin-4-ylethyl)propanedioate is CCOC(=O)C(CCC1CCNCC1)C(=O)OCC.
What is the InChIKey of diethyl 2-(2-piperidin-4-ylethyl)propanedioate?
The InChIKey is VQAUVDZDVPODHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-3-18-13(16)12(14(17)19-4-2)6-5-11-7-9-15-10-8-11/h11-12,15H,3-10H2,1-2H3.
What are the key properties of diethyl 2-(2-piperidin-4-ylethyl)propanedioate?
diethyl 2-(2-piperidin-4-ylethyl)propanedioate has a molecular weight of 271.36 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(2-piperidin-4-ylethyl)propanedioate is sourced from PubChem (CID 57155204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).