1,3-dimethyl-7-[3-oxo-3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]propyl]purine-2,6-dione

C23H26N6O4 — CID 166183173

IUPAC1,3-dimethyl-7-[3-oxo-3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]propyl]purine-2,6-dione
SMILESCn1c(=O)c2c(ncn2CCC(=O)N2CCC(C3C(=O)Nc4ccccc43)CC2)n(C)c1=O
InChIInChI=1S/C23H26N6O4/c1-26-20-19(22(32)27(2)23(26)33)29(13-24-20)12-9-17(30)28-10-7-14(8-11-28)18-15-5-3-4-6-16(15)25-21(18)31/h3-6,13-14,18H,7-12H2,1-2H3,(H,25,31)
InChIKeyLHUWGXCDSYGWLX-UHFFFAOYSA-N
MW450.50 g/mol
LogP0.80
Rot. Bonds4

About 1,3-dimethyl-7-[3-oxo-3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]propyl]purine-2,6-dione

1,3-dimethyl-7-[3-oxo-3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]propyl]purine-2,6-dione (PubChem CID 166183173) has the molecular formula C23H26N6O4 and a molecular weight of 450.50 g/mol. Its IUPAC name is 1,3-dimethyl-7-[3-oxo-3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]propyl]purine-2,6-dione.

Molecular Properties

Compound Name1,3-dimethyl-7-[3-oxo-3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]propyl]purine-2,6-dione
PubChem CID166183173
Molecular FormulaC23H26N6O4
Molecular Weight450.50 g/mol
Exact Mass450.20
IUPAC Name1,3-dimethyl-7-[3-oxo-3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]propyl]purine-2,6-dione
SMILESCn1c(=O)c2c(ncn2CCC(=O)N2CCC(C3C(=O)Nc4ccccc43)CC2)n(C)c1=O
InChIInChI=1S/C23H26N6O4/c1-26-20-19(22(32)27(2)23(26)33)29(13-24-20)12-9-17(30)28-10-7-14(8-11-28)18-15-5-3-4-6-16(15)25-21(18)31/h3-6,13-14,18H,7-12H2,1-2H3,(H,25,31)
InChIKeyLHUWGXCDSYGWLX-UHFFFAOYSA-N
XLogP0.80
TPSA111.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1,3-dimethyl-7-[3-oxo-3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]propyl]purine-2,6-dione with MolForge

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Launch Full Analysis

Related Compounds

4-oxo-4-[3-(2-oxo-1,3-dihydroindol-3-yl)pyrrolidin-1-yl]butanoic acid
CID 134076449
3-[1-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]piperidin-4-yl]-1,3-dihydroindol-2-one
CID 154773537
1,3-dimethyl-7-[4-oxo-4-(2-phenylpyrrolidin-1-yl)butyl]purine-2,6-dione
CID 51318945
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide
CID 26065485
3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one
CID 110710761
1,3-dimethyl-7-(3-oxobutyl)purine-2,6-dione
CID 10634405
1,3-dimethyl-7-[2-oxo-2-(4-quinoxalin-2-yloxypiperidin-1-yl)ethyl]purine-2,6-dione
CID 90559993
3-[1-[4-(4-methyl-2H-benzo[cd]indol-1-yl)butanoyl]piperidin-4-yl]-1,3-dihydroindol-2-one
CID 178012552
tert-butyl (3R)-3-[(3S)-2-oxo-1,3-dihydroindol-3-yl]pyrrolidine-1-carboxylate
CID 98060720
1,3-dimethyl-7-[2-oxo-2-(4-thiophen-3-ylpiperidin-1-yl)ethyl]purine-2,6-dione
CID 90522411
3-[1-[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]piperidin-4-yl]-1,3-dihydroindol-2-one
CID 154806869
7-[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione
CID 40809617

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-7-[3-oxo-3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]propyl]purine-2,6-dione?
The IUPAC name of 1,3-dimethyl-7-[3-oxo-3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]propyl]purine-2,6-dione (CID 166183173) is 1,3-dimethyl-7-[3-oxo-3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]propyl]purine-2,6-dione.
What is the SMILES notation for 1,3-dimethyl-7-[3-oxo-3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]propyl]purine-2,6-dione?
The canonical SMILES for 1,3-dimethyl-7-[3-oxo-3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]propyl]purine-2,6-dione is Cn1c(=O)c2c(ncn2CCC(=O)N2CCC(C3C(=O)Nc4ccccc43)CC2)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-7-[3-oxo-3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]propyl]purine-2,6-dione?
The InChIKey is LHUWGXCDSYGWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O4/c1-26-20-19(22(32)27(2)23(26)33)29(13-24-20)12-9-17(30)28-10-7-14(8-11-28)18-15-5-3-4-6-16(15)25-21(18)31/h3-6,13-14,18H,7-12H2,1-2H3,(H,25,31).
What are the key properties of 1,3-dimethyl-7-[3-oxo-3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]propyl]purine-2,6-dione?
1,3-dimethyl-7-[3-oxo-3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]propyl]purine-2,6-dione has a molecular weight of 450.50 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-7-[3-oxo-3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]propyl]purine-2,6-dione is sourced from PubChem (CID 166183173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).