2-(2,3-dihydroindol-1-ylmethyl)-5-(2-oxo-2-piperidin-1-ylethoxy)pyran-4-one

C21H24N2O4 — CID 7178232

IUPAC2-(2,3-dihydroindol-1-ylmethyl)-5-(2-oxo-2-piperidin-1-ylethoxy)pyran-4-one
SMILESO=C(COc1coc(CN2CCc3ccccc32)cc1=O)N1CCCCC1
InChIInChI=1S/C21H24N2O4/c24-19-12-17(13-23-11-8-16-6-2-3-7-18(16)23)26-14-20(19)27-15-21(25)22-9-4-1-5-10-22/h2-3,6-7,12,14H,1,4-5,8-11,13,15H2
InChIKeyFUGRECAKFDGKTF-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.59
Rot. Bonds5

About 2-(2,3-dihydroindol-1-ylmethyl)-5-(2-oxo-2-piperidin-1-ylethoxy)pyran-4-one

2-(2,3-dihydroindol-1-ylmethyl)-5-(2-oxo-2-piperidin-1-ylethoxy)pyran-4-one (PubChem CID 7178232) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-ylmethyl)-5-(2-oxo-2-piperidin-1-ylethoxy)pyran-4-one.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-ylmethyl)-5-(2-oxo-2-piperidin-1-ylethoxy)pyran-4-one
PubChem CID7178232
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name2-(2,3-dihydroindol-1-ylmethyl)-5-(2-oxo-2-piperidin-1-ylethoxy)pyran-4-one
SMILESO=C(COc1coc(CN2CCc3ccccc32)cc1=O)N1CCCCC1
InChIInChI=1S/C21H24N2O4/c24-19-12-17(13-23-11-8-16-6-2-3-7-18(16)23)26-14-20(19)27-15-21(25)22-9-4-1-5-10-22/h2-3,6-7,12,14H,1,4-5,8-11,13,15H2
InChIKeyFUGRECAKFDGKTF-UHFFFAOYSA-N
XLogP2.59
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2,3-dihydroindol-1-ylmethyl)-5-(2-oxo-2-piperidin-1-ylethoxy)pyran-4-one 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-(2,3-dihydroindol-1-ylmethyl)-5-(2-oxo-2-piperidin-1-ylethoxy)pyran-4-one?
The IUPAC name of 2-(2,3-dihydroindol-1-ylmethyl)-5-(2-oxo-2-piperidin-1-ylethoxy)pyran-4-one (CID 7178232) is 2-(2,3-dihydroindol-1-ylmethyl)-5-(2-oxo-2-piperidin-1-ylethoxy)pyran-4-one.
What is the SMILES notation for 2-(2,3-dihydroindol-1-ylmethyl)-5-(2-oxo-2-piperidin-1-ylethoxy)pyran-4-one?
The canonical SMILES for 2-(2,3-dihydroindol-1-ylmethyl)-5-(2-oxo-2-piperidin-1-ylethoxy)pyran-4-one is O=C(COc1coc(CN2CCc3ccccc32)cc1=O)N1CCCCC1.
What is the InChIKey of 2-(2,3-dihydroindol-1-ylmethyl)-5-(2-oxo-2-piperidin-1-ylethoxy)pyran-4-one?
The InChIKey is FUGRECAKFDGKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c24-19-12-17(13-23-11-8-16-6-2-3-7-18(16)23)26-14-20(19)27-15-21(25)22-9-4-1-5-10-22/h2-3,6-7,12,14H,1,4-5,8-11,13,15H2.
What are the key properties of 2-(2,3-dihydroindol-1-ylmethyl)-5-(2-oxo-2-piperidin-1-ylethoxy)pyran-4-one?
2-(2,3-dihydroindol-1-ylmethyl)-5-(2-oxo-2-piperidin-1-ylethoxy)pyran-4-one has a molecular weight of 368.43 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-ylmethyl)-5-(2-oxo-2-piperidin-1-ylethoxy)pyran-4-one is sourced from PubChem (CID 7178232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).