2-(1,3-benzodioxol-5-yl)-2,7-diazaspiro[4.4]nonane

C14H18N2O2 — CID 82537950

IUPAC2-(1,3-benzodioxol-5-yl)-2,7-diazaspiro[4.4]nonane
SMILESc1cc2c(cc1N1CCC3(CCNC3)C1)OCO2
InChIInChI=1S/C14H18N2O2/c1-2-12-13(18-10-17-12)7-11(1)16-6-4-14(9-16)3-5-15-8-14/h1-2,7,15H,3-6,8-10H2
InChIKeyIFEXZDFDRPYPJA-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.61
Rot. Bonds1

About 2-(1,3-benzodioxol-5-yl)-2,7-diazaspiro[4.4]nonane

2-(1,3-benzodioxol-5-yl)-2,7-diazaspiro[4.4]nonane (PubChem CID 82537950) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-2,7-diazaspiro[4.4]nonane
PubChem CID82537950
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-(1,3-benzodioxol-5-yl)-2,7-diazaspiro[4.4]nonane
SMILESc1cc2c(cc1N1CCC3(CCNC3)C1)OCO2
InChIInChI=1S/C14H18N2O2/c1-2-12-13(18-10-17-12)7-11(1)16-6-4-14(9-16)3-5-15-8-14/h1-2,7,15H,3-6,8-10H2
InChIKeyIFEXZDFDRPYPJA-UHFFFAOYSA-N
XLogP1.61
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 2-(1,3-benzodioxol-5-yl)-2,7-diazaspiro[4.4]nonane 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-[1-(1,3-benzodioxol-5-yl)piperidin-4-yl]-2,8-diazaspiro[4.5]decane;dihydrochloride
CID 154891225
2-(3-methylphenyl)-2,7-diazaspiro[4.4]nonane
CID 117028701
4-(2,7-diazaspiro[4.4]nonan-2-yl)-2-hydroxybenzaldehyde
CID 171103032
6-(2,7-diazaspiro[4.4]nonan-2-yl)quinoline
CID 82537940
1-(1,3-benzodioxol-5-yl)-3,3-diethylpiperazine
CID 64924440
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,7-diazaspiro[4.4]nonan-3-one
CID 121229500
(5S)-2-(2-chlorophenyl)-2,7-diazaspiro[4.4]nonane
CID 96706336
2-pyridin-3-yl-2,7-diazaspiro[4.4]nonane
CID 10262309
1-(1,3-benzodioxol-5-yl)piperidine
CID 15712176
5-(2,7-diazaspiro[4.4]nonan-2-yl)-1,2-oxazole
CID 10081310
methyl 3-(2,7-diazaspiro[4.4]nonan-2-yl)benzoate
CID 117028734
2-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120907793

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-2,7-diazaspiro[4.4]nonane?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-2,7-diazaspiro[4.4]nonane (CID 82537950) is 2-(1,3-benzodioxol-5-yl)-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-2,7-diazaspiro[4.4]nonane is c1cc2c(cc1N1CCC3(CCNC3)C1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-2,7-diazaspiro[4.4]nonane?
The InChIKey is IFEXZDFDRPYPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-2-12-13(18-10-17-12)7-11(1)16-6-4-14(9-16)3-5-15-8-14/h1-2,7,15H,3-6,8-10H2.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-2,7-diazaspiro[4.4]nonane?
2-(1,3-benzodioxol-5-yl)-2,7-diazaspiro[4.4]nonane has a molecular weight of 246.31 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 82537950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).