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

C18H20N2O4 — CID 7117504

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C18H20N2O4/c1-12-15(13-4-2-3-5-14(13)19-12)16(21)17(22)20-8-6-18(7-9-20)23-10-11-24-18/h2-5,19H,6-11H2,1H3
InChIKeyHMMKJMCPGNSKBE-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.02
Rot. Bonds2

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

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione (PubChem CID 7117504) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione
PubChem CID7117504
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C18H20N2O4/c1-12-15(13-4-2-3-5-14(13)19-12)16(21)17(22)20-8-6-18(7-9-20)23-10-11-24-18/h2-5,19H,6-11H2,1H3
InChIKeyHMMKJMCPGNSKBE-UHFFFAOYSA-N
XLogP2.02
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione (CID 7117504) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methyl-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-(2-methyl-1H-indol-3-yl)ethane-1,2-dione?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione is Cc1[nH]c2ccccc2c1C(=O)C(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione?
The InChIKey is HMMKJMCPGNSKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-12-15(13-4-2-3-5-14(13)19-12)16(21)17(22)20-8-6-18(7-9-20)23-10-11-24-18/h2-5,19H,6-11H2,1H3.
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione has a molecular weight of 328.37 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione is sourced from PubChem (CID 7117504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).