2-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2,7-diazaspiro[4.4]nonane

C16H22N2O3 — CID 120907793

IUPAC2-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2,7-diazaspiro[4.4]nonane
SMILESCOc1cc2c(cc1CN1CCC3(CCNC3)C1)OCO2
InChIInChI=1S/C16H22N2O3/c1-19-13-7-15-14(20-11-21-15)6-12(13)8-18-5-3-16(10-18)2-4-17-9-16/h6-7,17H,2-5,8-11H2,1H3
InChIKeyZVNOFAWMBSRYDP-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.61
Rot. Bonds3

About 2-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2,7-diazaspiro[4.4]nonane

2-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2,7-diazaspiro[4.4]nonane (PubChem CID 120907793) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name2-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2,7-diazaspiro[4.4]nonane
PubChem CID120907793
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2,7-diazaspiro[4.4]nonane
SMILESCOc1cc2c(cc1CN1CCC3(CCNC3)C1)OCO2
InChIInChI=1S/C16H22N2O3/c1-19-13-7-15-14(20-11-21-15)6-12(13)8-18-5-3-16(10-18)2-4-17-9-16/h6-7,17H,2-5,8-11H2,1H3
InChIKeyZVNOFAWMBSRYDP-UHFFFAOYSA-N
XLogP1.61
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2,7-diazaspiro[4.5]decane
CID 56754640
2-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,9-diazaspiro[4.5]decane
CID 56757251
2-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2,9-diazaspiro[4.5]decane
CID 56744612
2-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-2,7-diazaspiro[4.4]nonane
CID 120908237
4-bromo-5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-methoxyphenol;hydrochloride
CID 120907996
2-[(2,5-dimethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906879
2-[(3,5-dichloro-2-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907677
2-[(2-chloro-5-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120966878
2-[[2-(difluoromethoxy)-4-methoxyphenyl]methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908600
2-[(3-methoxythiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908511
2-[(3-chloro-4-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908725
3-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-methoxyphenol
CID 120908197

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2,7-diazaspiro[4.4]nonane?
The IUPAC name of 2-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2,7-diazaspiro[4.4]nonane (CID 120907793) is 2-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 2-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for 2-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2,7-diazaspiro[4.4]nonane is COc1cc2c(cc1CN1CCC3(CCNC3)C1)OCO2.
What is the InChIKey of 2-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2,7-diazaspiro[4.4]nonane?
The InChIKey is ZVNOFAWMBSRYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-19-13-7-15-14(20-11-21-15)6-12(13)8-18-5-3-16(10-18)2-4-17-9-16/h6-7,17H,2-5,8-11H2,1H3.
What are the key properties of 2-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2,7-diazaspiro[4.4]nonane?
2-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2,7-diazaspiro[4.4]nonane has a molecular weight of 290.36 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 120907793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).