7-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2,7-diazaspiro[4.5]decane

C17H24N2O3 — CID 56754640

IUPAC7-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2,7-diazaspiro[4.5]decane
SMILESCOc1cc2c(cc1CN1CCCC3(CCNC3)C1)OCO2
InChIInChI=1S/C17H24N2O3/c1-20-14-8-16-15(21-12-22-16)7-13(14)9-19-6-2-3-17(11-19)4-5-18-10-17/h7-8,18H,2-6,9-12H2,1H3
InChIKeySSCNTSKPLREFRU-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.00
Rot. Bonds3

About 7-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2,7-diazaspiro[4.5]decane

7-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2,7-diazaspiro[4.5]decane (PubChem CID 56754640) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 7-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name7-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2,7-diazaspiro[4.5]decane
PubChem CID56754640
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name7-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2,7-diazaspiro[4.5]decane
SMILESCOc1cc2c(cc1CN1CCCC3(CCNC3)C1)OCO2
InChIInChI=1S/C17H24N2O3/c1-20-14-8-16-15(21-12-22-16)7-13(14)9-19-6-2-3-17(11-19)4-5-18-10-17/h7-8,18H,2-6,9-12H2,1H3
InChIKeySSCNTSKPLREFRU-UHFFFAOYSA-N
XLogP2.00
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2,7-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

Frequently Asked Questions

What is the IUPAC name of 7-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2,7-diazaspiro[4.5]decane?
The IUPAC name of 7-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2,7-diazaspiro[4.5]decane (CID 56754640) is 7-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for 7-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2,7-diazaspiro[4.5]decane?
The canonical SMILES for 7-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2,7-diazaspiro[4.5]decane is COc1cc2c(cc1CN1CCCC3(CCNC3)C1)OCO2.
What is the InChIKey of 7-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2,7-diazaspiro[4.5]decane?
The InChIKey is SSCNTSKPLREFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-20-14-8-16-15(21-12-22-16)7-13(14)9-19-6-2-3-17(11-19)4-5-18-10-17/h7-8,18H,2-6,9-12H2,1H3.
What are the key properties of 7-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2,7-diazaspiro[4.5]decane?
7-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2,7-diazaspiro[4.5]decane has a molecular weight of 304.39 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 56754640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).