2-(1,3-benzodioxol-4-ylmethyl)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decane

C24H30N2O2 — CID 45247545

IUPAC2-(1,3-benzodioxol-4-ylmethyl)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decane
SMILESCc1cccc(CN2CCCC3(CCN(Cc4cccc5c4OCO5)C3)C2)c1
InChIInChI=1S/C24H30N2O2/c1-19-5-2-6-20(13-19)14-25-11-4-9-24(16-25)10-12-26(17-24)15-21-7-3-8-22-23(21)28-18-27-22/h2-3,5-8,13H,4,9-12,14-18H2,1H3
InChIKeyMFFJMIIMLHBERY-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.21
Rot. Bonds4

About 2-(1,3-benzodioxol-4-ylmethyl)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decane

2-(1,3-benzodioxol-4-ylmethyl)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decane (PubChem CID 45247545) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-4-ylmethyl)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-(1,3-benzodioxol-4-ylmethyl)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decane
PubChem CID45247545
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name2-(1,3-benzodioxol-4-ylmethyl)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decane
SMILESCc1cccc(CN2CCCC3(CCN(Cc4cccc5c4OCO5)C3)C2)c1
InChIInChI=1S/C24H30N2O2/c1-19-5-2-6-20(13-19)14-25-11-4-9-24(16-25)10-12-26(17-24)15-21-7-3-8-22-23(21)28-18-27-22/h2-3,5-8,13H,4,9-12,14-18H2,1H3
InChIKeyMFFJMIIMLHBERY-UHFFFAOYSA-N
XLogP4.21
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1,3-benzodioxol-4-ylmethyl)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decane 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

7-[(3-methylphenyl)methyl]-2-propyl-2,7-diazaspiro[4.5]decane
CID 45236934
1-[3-[[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]phenyl]ethanone
CID 42594463
N,N-dimethyl-5-[[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazol-2-amine
CID 28980054
5-[[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 56715166
N-ethyl-2-[(5R)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]acetamide
CID 126438656
N-tert-butyl-2-[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]acetamide
CID 126442354
1-(1,3-benzodioxol-4-ylmethyl)-4-(3-methylphenyl)piperazine
CID 3495000
furan-3-yl-[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 26402063
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone
CID 25365402
cyclohexyl-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 45238198
[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-methylpyrazol-3-yl)methanone
CID 45191159
1-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one
CID 45170919

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-4-ylmethyl)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decane?
The IUPAC name of 2-(1,3-benzodioxol-4-ylmethyl)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decane (CID 45247545) is 2-(1,3-benzodioxol-4-ylmethyl)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 2-(1,3-benzodioxol-4-ylmethyl)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 2-(1,3-benzodioxol-4-ylmethyl)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decane is Cc1cccc(CN2CCCC3(CCN(Cc4cccc5c4OCO5)C3)C2)c1.
What is the InChIKey of 2-(1,3-benzodioxol-4-ylmethyl)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decane?
The InChIKey is MFFJMIIMLHBERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-19-5-2-6-20(13-19)14-25-11-4-9-24(16-25)10-12-26(17-24)15-21-7-3-8-22-23(21)28-18-27-22/h2-3,5-8,13H,4,9-12,14-18H2,1H3.
What are the key properties of 2-(1,3-benzodioxol-4-ylmethyl)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decane?
2-(1,3-benzodioxol-4-ylmethyl)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decane has a molecular weight of 378.52 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-4-ylmethyl)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 45247545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).