3-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-10-methyl-3,10-diazaspiro[5.6]dodecan-9-one

C22H32N2O2 — CID 77084715

IUPAC3-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-10-methyl-3,10-diazaspiro[5.6]dodecan-9-one
SMILESCOc1cc2c(cc1CN1CCC3(CCC(=O)N(C)CC3)CC1)CCC2
InChIInChI=1S/C22H32N2O2/c1-23-11-8-22(7-6-21(23)25)9-12-24(13-10-22)16-19-14-17-4-3-5-18(17)15-20(19)26-2/h14-15H,3-13,16H2,1-2H3
InChIKeyMBMBASFEMIABEL-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.41
Rot. Bonds3

About 3-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-10-methyl-3,10-diazaspiro[5.6]dodecan-9-one

3-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-10-methyl-3,10-diazaspiro[5.6]dodecan-9-one (PubChem CID 77084715) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 3-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-10-methyl-3,10-diazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name3-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-10-methyl-3,10-diazaspiro[5.6]dodecan-9-one
PubChem CID77084715
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name3-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-10-methyl-3,10-diazaspiro[5.6]dodecan-9-one
SMILESCOc1cc2c(cc1CN1CCC3(CCC(=O)N(C)CC3)CC1)CCC2
InChIInChI=1S/C22H32N2O2/c1-23-11-8-22(7-6-21(23)25)9-12-24(13-10-22)16-19-14-17-4-3-5-18(17)15-20(19)26-2/h14-15H,3-13,16H2,1-2H3
InChIKeyMBMBASFEMIABEL-UHFFFAOYSA-N
XLogP3.41
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-10-methyl-3,10-diazaspiro[5.6]dodecan-9-one with MolForge

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Related Compounds

9-[(2-methoxyphenyl)methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
CID 98894470
1-[4-[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]piperidin-1-yl]ethanone
CID 155498928
[(4aS,8aS)-7-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol
CID 135088685
[(3R)-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 97125314
[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 72874241
(6R)-4-[(4-methoxy-2,5-dimethylphenyl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 100905563
4-(8-azaspiro[4.5]decan-8-ylmethyl)-3-methoxyaniline
CID 107208413
2-(2-hydroxyethyl)-9-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70763802
5-ethyl-1'-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72840375
10-methyl-3-[(5-propylfuran-2-yl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one
CID 56720180
(2R)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-methyl-2-phenylpiperazine
CID 100597337
7-methoxy-6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 83957040

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-10-methyl-3,10-diazaspiro[5.6]dodecan-9-one?
The IUPAC name of 3-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-10-methyl-3,10-diazaspiro[5.6]dodecan-9-one (CID 77084715) is 3-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-10-methyl-3,10-diazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 3-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-10-methyl-3,10-diazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 3-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-10-methyl-3,10-diazaspiro[5.6]dodecan-9-one is COc1cc2c(cc1CN1CCC3(CCC(=O)N(C)CC3)CC1)CCC2.
What is the InChIKey of 3-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-10-methyl-3,10-diazaspiro[5.6]dodecan-9-one?
The InChIKey is MBMBASFEMIABEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-23-11-8-22(7-6-21(23)25)9-12-24(13-10-22)16-19-14-17-4-3-5-18(17)15-20(19)26-2/h14-15H,3-13,16H2,1-2H3.
What are the key properties of 3-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-10-methyl-3,10-diazaspiro[5.6]dodecan-9-one?
3-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-10-methyl-3,10-diazaspiro[5.6]dodecan-9-one has a molecular weight of 356.51 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-10-methyl-3,10-diazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 77084715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).