[2-(4-oxopiperidine-1-carbonyl)pyrrol-1-yl] 2,2-dimethylpropanoate

C15H20N2O4 — CID 174684103

IUPAC[2-(4-oxopiperidine-1-carbonyl)pyrrol-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)On1cccc1C(=O)N1CCC(=O)CC1
InChIInChI=1S/C15H20N2O4/c1-15(2,3)14(20)21-17-8-4-5-12(17)13(19)16-9-6-11(18)7-10-16/h4-5,8H,6-7,9-10H2,1-3H3
InChIKeyGWBQMHSIMIYDED-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.29
Rot. Bonds2

About [2-(4-oxopiperidine-1-carbonyl)pyrrol-1-yl] 2,2-dimethylpropanoate

[2-(4-oxopiperidine-1-carbonyl)pyrrol-1-yl] 2,2-dimethylpropanoate (PubChem CID 174684103) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is [2-(4-oxopiperidine-1-carbonyl)pyrrol-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[2-(4-oxopiperidine-1-carbonyl)pyrrol-1-yl] 2,2-dimethylpropanoate
PubChem CID174684103
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name[2-(4-oxopiperidine-1-carbonyl)pyrrol-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)On1cccc1C(=O)N1CCC(=O)CC1
InChIInChI=1S/C15H20N2O4/c1-15(2,3)14(20)21-17-8-4-5-12(17)13(19)16-9-6-11(18)7-10-16/h4-5,8H,6-7,9-10H2,1-3H3
InChIKeyGWBQMHSIMIYDED-UHFFFAOYSA-N
XLogP1.29
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(4-oxopiperidine-1-carbonyl)pyrrol-1-yl] 2,2-dimethylpropanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(4-oxopiperidine-1-carbonyl)pyrrol-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [2-(4-oxopiperidine-1-carbonyl)pyrrol-1-yl] 2,2-dimethylpropanoate (CID 174684103) is [2-(4-oxopiperidine-1-carbonyl)pyrrol-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [2-(4-oxopiperidine-1-carbonyl)pyrrol-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [2-(4-oxopiperidine-1-carbonyl)pyrrol-1-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)On1cccc1C(=O)N1CCC(=O)CC1.
What is the InChIKey of [2-(4-oxopiperidine-1-carbonyl)pyrrol-1-yl] 2,2-dimethylpropanoate?
The InChIKey is GWBQMHSIMIYDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-15(2,3)14(20)21-17-8-4-5-12(17)13(19)16-9-6-11(18)7-10-16/h4-5,8H,6-7,9-10H2,1-3H3.
What are the key properties of [2-(4-oxopiperidine-1-carbonyl)pyrrol-1-yl] 2,2-dimethylpropanoate?
[2-(4-oxopiperidine-1-carbonyl)pyrrol-1-yl] 2,2-dimethylpropanoate has a molecular weight of 292.33 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-oxopiperidine-1-carbonyl)pyrrol-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174684103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).