ethyl 1-[2-(1,5-dimethylpyrrole-2-carbonyl)oxyacetyl]piperidine-4-carboxylate

C17H24N2O5 — CID 55449417

IUPACethyl 1-[2-(1,5-dimethylpyrrole-2-carbonyl)oxyacetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COC(=O)c2ccc(C)n2C)CC1
InChIInChI=1S/C17H24N2O5/c1-4-23-16(21)13-7-9-19(10-8-13)15(20)11-24-17(22)14-6-5-12(2)18(14)3/h5-6,13H,4,7-11H2,1-3H3
InChIKeyXVXXAJHNFYLBGH-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.29
Rot. Bonds5

About ethyl 1-[2-(1,5-dimethylpyrrole-2-carbonyl)oxyacetyl]piperidine-4-carboxylate

ethyl 1-[2-(1,5-dimethylpyrrole-2-carbonyl)oxyacetyl]piperidine-4-carboxylate (PubChem CID 55449417) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is ethyl 1-[2-(1,5-dimethylpyrrole-2-carbonyl)oxyacetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(1,5-dimethylpyrrole-2-carbonyl)oxyacetyl]piperidine-4-carboxylate
PubChem CID55449417
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Nameethyl 1-[2-(1,5-dimethylpyrrole-2-carbonyl)oxyacetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COC(=O)c2ccc(C)n2C)CC1
InChIInChI=1S/C17H24N2O5/c1-4-23-16(21)13-7-9-19(10-8-13)15(20)11-24-17(22)14-6-5-12(2)18(14)3/h5-6,13H,4,7-11H2,1-3H3
InChIKeyXVXXAJHNFYLBGH-UHFFFAOYSA-N
XLogP1.29
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[2-(1,5-dimethylpyrrole-2-carbonyl)oxyacetyl]piperidine-4-carboxylate 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

ethyl 1-[2-(5-bromo-2-fluorobenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 55339040
ethyl 1-[2-(2,5-dimethylbenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 23990490
ethyl 1-[2-(3-bromobenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 2346503
ethyl 1-[2-(1,5-dimethylpyrazole-4-carbonyl)oxyacetyl]piperidine-4-carboxylate
CID 55495300
ethyl 1-[2-(5-chloro-2-hydroxybenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 8604247
ethyl 1-[2-(4-ethylphenyl)acetyl]piperidine-4-carboxylate
CID 99705064
ethyl 1-[2-(1-hydroxynaphthalene-2-carbonyl)oxyacetyl]piperidine-4-carboxylate
CID 7891146
ethyl 1-[2-(2-nitrobenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 9454739
ethyl 1-[2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]oxyacetyl]piperidine-4-carboxylate
CID 55319408
ethyl 1-[2-(4-fluoro-3-methyl-1-benzothiophene-2-carbonyl)oxyacetyl]piperidine-4-carboxylate
CID 9062022
[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-methoxypyridine-3-carboxylate
CID 55555560
ethyl 1-[2-[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoyl]oxyacetyl]piperidine-4-carboxylate
CID 55306358

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(1,5-dimethylpyrrole-2-carbonyl)oxyacetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(1,5-dimethylpyrrole-2-carbonyl)oxyacetyl]piperidine-4-carboxylate (CID 55449417) is ethyl 1-[2-(1,5-dimethylpyrrole-2-carbonyl)oxyacetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(1,5-dimethylpyrrole-2-carbonyl)oxyacetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(1,5-dimethylpyrrole-2-carbonyl)oxyacetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)COC(=O)c2ccc(C)n2C)CC1.
What is the InChIKey of ethyl 1-[2-(1,5-dimethylpyrrole-2-carbonyl)oxyacetyl]piperidine-4-carboxylate?
The InChIKey is XVXXAJHNFYLBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-4-23-16(21)13-7-9-19(10-8-13)15(20)11-24-17(22)14-6-5-12(2)18(14)3/h5-6,13H,4,7-11H2,1-3H3.
What are the key properties of ethyl 1-[2-(1,5-dimethylpyrrole-2-carbonyl)oxyacetyl]piperidine-4-carboxylate?
ethyl 1-[2-(1,5-dimethylpyrrole-2-carbonyl)oxyacetyl]piperidine-4-carboxylate has a molecular weight of 336.39 g/mol, XLogP of 1.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(1,5-dimethylpyrrole-2-carbonyl)oxyacetyl]piperidine-4-carboxylate is sourced from PubChem (CID 55449417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).