2-cyclopropyl-8-[(1-methylindol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

C22H29N3O — CID 70766870

IUPAC2-cyclopropyl-8-[(1-methylindol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCn1c(CN2CCCC3(CCC(=O)N(C4CC4)C3)C2)cc2ccccc21
InChIInChI=1S/C22H29N3O/c1-23-19(13-17-5-2-3-6-20(17)23)14-24-12-4-10-22(15-24)11-9-21(26)25(16-22)18-7-8-18/h2-3,5-6,13,18H,4,7-12,14-16H2,1H3
InChIKeyYRQRVFBWVNRMFV-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.55
Rot. Bonds3

About 2-cyclopropyl-8-[(1-methylindol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

2-cyclopropyl-8-[(1-methylindol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70766870) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 2-cyclopropyl-8-[(1-methylindol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-cyclopropyl-8-[(1-methylindol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70766870
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name2-cyclopropyl-8-[(1-methylindol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCn1c(CN2CCCC3(CCC(=O)N(C4CC4)C3)C2)cc2ccccc21
InChIInChI=1S/C22H29N3O/c1-23-19(13-17-5-2-3-6-20(17)23)14-24-12-4-10-22(15-24)11-9-21(26)25(16-22)18-7-8-18/h2-3,5-6,13,18H,4,7-12,14-16H2,1H3
InChIKeyYRQRVFBWVNRMFV-UHFFFAOYSA-N
XLogP3.55
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-8-[(1-methylindol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-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

2-cyclopropyl-8-[(3-hydroxyphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70749704
2-cyclopropyl-8-(2-phenoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70753916
(6S)-2-cyclopropyl-8-[(9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97154265
2-cyclopropyl-8-[(3-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70706816
8-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one
CID 72908060
2-cyclopropyl-8-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 72877434
4-(hydroxymethyl)-1-[(1-methylindol-2-yl)methyl]azepan-4-ol
CID 74236763
4-[(1-methylindol-2-yl)methyl]morpholine
CID 117173146
(6R)-2-cyclopropyl-8-(5-fluoro-2-methylphenyl)sulfonyl-2,8-diazaspiro[5.5]undecan-3-one
CID 97115364
2-[(1-methylindol-2-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 171398245
2-cyclopentyl-8-[2-(2-hydroxyphenyl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70771950
2-cyclopentyl-9-[(5-fluoro-2-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70716601

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-8-[(1-methylindol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-cyclopropyl-8-[(1-methylindol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 70766870) is 2-cyclopropyl-8-[(1-methylindol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-cyclopropyl-8-[(1-methylindol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-cyclopropyl-8-[(1-methylindol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is Cn1c(CN2CCCC3(CCC(=O)N(C4CC4)C3)C2)cc2ccccc21.
What is the InChIKey of 2-cyclopropyl-8-[(1-methylindol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is YRQRVFBWVNRMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-23-19(13-17-5-2-3-6-20(17)23)14-24-12-4-10-22(15-24)11-9-21(26)25(16-22)18-7-8-18/h2-3,5-6,13,18H,4,7-12,14-16H2,1H3.
What are the key properties of 2-cyclopropyl-8-[(1-methylindol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
2-cyclopropyl-8-[(1-methylindol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 351.49 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-8-[(1-methylindol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70766870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).