1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(5-methoxy-1H-indol-3-yl)ethane-1,2-dione

C18H20N2O5 — CID 113208410

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(5-methoxy-1H-indol-3-yl)ethane-1,2-dione
SMILESCOc1ccc2[nH]cc(C(=O)C(=O)N3CCC4(CC3)OCCO4)c2c1
InChIInChI=1S/C18H20N2O5/c1-23-12-2-3-15-13(10-12)14(11-19-15)16(21)17(22)20-6-4-18(5-7-20)24-8-9-25-18/h2-3,10-11,19H,4-9H2,1H3
InChIKeyODNVVIINJSQNBY-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.72
Rot. Bonds3

About 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(5-methoxy-1H-indol-3-yl)ethane-1,2-dione

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(5-methoxy-1H-indol-3-yl)ethane-1,2-dione (PubChem CID 113208410) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(5-methoxy-1H-indol-3-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(5-methoxy-1H-indol-3-yl)ethane-1,2-dione
PubChem CID113208410
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(5-methoxy-1H-indol-3-yl)ethane-1,2-dione
SMILESCOc1ccc2[nH]cc(C(=O)C(=O)N3CCC4(CC3)OCCO4)c2c1
InChIInChI=1S/C18H20N2O5/c1-23-12-2-3-15-13(10-12)14(11-19-15)16(21)17(22)20-6-4-18(5-7-20)24-8-9-25-18/h2-3,10-11,19H,4-9H2,1H3
InChIKeyODNVVIINJSQNBY-UHFFFAOYSA-N
XLogP1.72
TPSA80.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone
CID 7392149
4-(5-methoxy-1H-indole-3-carbonyl)-N,2-dimethylmorpholine-2-carboxamide
CID 132764227
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 44719462
1-(2,3-dihydroindol-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethane-1,2-dione
CID 113208442
(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone
CID 43340483
(5-methoxy-1H-indol-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 113206035
1-(1H-indol-3-yl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]ethane-1,2-dione
CID 45486636
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetaldehyde
CID 50901388
2-(1-methoxycyclobutyl)-1-(5-methoxy-1H-indol-3-yl)ethanone
CID 103555921
(3S)-1-[2-(5-methoxy-1H-indol-3-yl)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124687229
1-(5-methoxy-1H-indol-3-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethane-1,2-dione
CID 113208523
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(6-methoxy-1-benzofuran-3-yl)ethanone
CID 38375787

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(5-methoxy-1H-indol-3-yl)ethane-1,2-dione?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(5-methoxy-1H-indol-3-yl)ethane-1,2-dione (CID 113208410) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(5-methoxy-1H-indol-3-yl)ethane-1,2-dione.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(5-methoxy-1H-indol-3-yl)ethane-1,2-dione?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(5-methoxy-1H-indol-3-yl)ethane-1,2-dione is COc1ccc2[nH]cc(C(=O)C(=O)N3CCC4(CC3)OCCO4)c2c1.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(5-methoxy-1H-indol-3-yl)ethane-1,2-dione?
The InChIKey is ODNVVIINJSQNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-23-12-2-3-15-13(10-12)14(11-19-15)16(21)17(22)20-6-4-18(5-7-20)24-8-9-25-18/h2-3,10-11,19H,4-9H2,1H3.
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(5-methoxy-1H-indol-3-yl)ethane-1,2-dione?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(5-methoxy-1H-indol-3-yl)ethane-1,2-dione has a molecular weight of 344.37 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(5-methoxy-1H-indol-3-yl)ethane-1,2-dione is sourced from PubChem (CID 113208410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).