2-[(1-ethylindol-4-yl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

C22H31N3O2 — CID 72895607

IUPAC2-[(1-ethylindol-4-yl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCn1ccc2c(CN3CCC4(CCCN(CCOC)C4=O)C3)cccc21
InChIInChI=1S/C22H31N3O2/c1-3-24-12-8-19-18(6-4-7-20(19)24)16-23-13-10-22(17-23)9-5-11-25(21(22)26)14-15-27-2/h4,6-8,12H,3,5,9-11,13-17H2,1-2H3
InChIKeyFXANEPGAHNOFBH-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.12
Rot. Bonds6

About 2-[(1-ethylindol-4-yl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

2-[(1-ethylindol-4-yl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72895607) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-[(1-ethylindol-4-yl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-[(1-ethylindol-4-yl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72895607
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name2-[(1-ethylindol-4-yl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCn1ccc2c(CN3CCC4(CCCN(CCOC)C4=O)C3)cccc21
InChIInChI=1S/C22H31N3O2/c1-3-24-12-8-19-18(6-4-7-20(19)24)16-23-13-10-22(17-23)9-5-11-25(21(22)26)14-15-27-2/h4,6-8,12H,3,5,9-11,13-17H2,1-2H3
InChIKeyFXANEPGAHNOFBH-UHFFFAOYSA-N
XLogP3.12
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(1-ethylindol-4-yl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-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-[(1-ethylindol-4-yl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-[(1-ethylindol-4-yl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 72895607) is 2-[(1-ethylindol-4-yl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-[(1-ethylindol-4-yl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-[(1-ethylindol-4-yl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one is CCn1ccc2c(CN3CCC4(CCCN(CCOC)C4=O)C3)cccc21.
What is the InChIKey of 2-[(1-ethylindol-4-yl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is FXANEPGAHNOFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-3-24-12-8-19-18(6-4-7-20(19)24)16-23-13-10-22(17-23)9-5-11-25(21(22)26)14-15-27-2/h4,6-8,12H,3,5,9-11,13-17H2,1-2H3.
What are the key properties of 2-[(1-ethylindol-4-yl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
2-[(1-ethylindol-4-yl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 369.51 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylindol-4-yl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72895607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).