5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one

C26H27N3O4 — CID 16812832

IUPAC5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one
SMILESO=C(COc1coc(CN2CCN(c3ccccc3)CC2)cc1=O)N1CCc2ccccc21
InChIInChI=1S/C26H27N3O4/c30-24-16-22(17-27-12-14-28(15-13-27)21-7-2-1-3-8-21)32-18-25(24)33-19-26(31)29-11-10-20-6-4-5-9-23(20)29/h1-9,16,18H,10-15,17,19H2
InChIKeyIYROLFAQGCQRKP-UHFFFAOYSA-N
MW445.52 g/mol
LogP2.93
Rot. Bonds6

About 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one

5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one (PubChem CID 16812832) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one.

Molecular Properties

Compound Name5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one
PubChem CID16812832
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC Name5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one
SMILESO=C(COc1coc(CN2CCN(c3ccccc3)CC2)cc1=O)N1CCc2ccccc21
InChIInChI=1S/C26H27N3O4/c30-24-16-22(17-27-12-14-28(15-13-27)21-7-2-1-3-8-21)32-18-25(24)33-19-26(31)29-11-10-20-6-4-5-9-23(20)29/h1-9,16,18H,10-15,17,19H2
InChIKeyIYROLFAQGCQRKP-UHFFFAOYSA-N
XLogP2.93
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-[(4-phenylpiperazin-1-yl)methyl]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

Related Compounds

9-Phenyl-2-(2-phenylethyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 118562428
2-(2,3-Dihydroindol-1-ylmethyl)-5-(2-oxo-2-piperidin-1-ylethoxy)pyran-4-one
CID 7178232
2-((6-((3,4-dihydroquinolin-1(2H)-yl)methyl)-4-oxo-4H-pyran-3-yl)oxy)-N-(o-tolyl)acetamide
CID 7178270
2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,5-dimethylphenyl)acetamide
CID 7178290
2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,4-dimethylphenyl)acetamide
CID 7178299
2-((6-(indolin-1-ylmethyl)-4-oxo-4H-pyran-3-yl)oxy)-N-phenethylacetamide
CID 7178371
2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(3-fluorophenyl)acetamide
CID 7178592
N-(2,3-dimethylphenyl)-2-({4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]-4H-pyran-3-yl}oxy)acetamide
CID 16802988
2-((6-((4-benzylpiperazin-1-yl)methyl)-4-oxo-4H-pyran-3-yl)oxy)-N-(o-tolyl)acetamide
CID 16830099
2-((6-((2-methylindolin-1-yl)methyl)-4-oxo-4H-pyran-3-yl)oxy)-N-phenethylacetamide
CID 16830117
2-((4-oxo-6-((4-phenylpiperazin-1-yl)methyl)-4H-pyran-3-yl)oxy)-N-(o-tolyl)acetamide
CID 18575663
2-((4-oxo-6-((4-phenylpiperazin-1-yl)methyl)-4H-pyran-3-yl)oxy)-N-(p-tolyl)acetamide
CID 18575668

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one?
The IUPAC name of 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one (CID 16812832) is 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one.
What is the SMILES notation for 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one?
The canonical SMILES for 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one is O=C(COc1coc(CN2CCN(c3ccccc3)CC2)cc1=O)N1CCc2ccccc21.
What is the InChIKey of 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one?
The InChIKey is IYROLFAQGCQRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c30-24-16-22(17-27-12-14-28(15-13-27)21-7-2-1-3-8-21)32-18-25(24)33-19-26(31)29-11-10-20-6-4-5-9-23(20)29/h1-9,16,18H,10-15,17,19H2.
What are the key properties of 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one?
5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one has a molecular weight of 445.52 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one is sourced from PubChem (CID 16812832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).