2-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-ylmethyl)-2,7-diazaspiro[4.4]nonan-8-one

C18H24N2O3 — CID 128550324

IUPAC2-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-ylmethyl)-2,7-diazaspiro[4.4]nonan-8-one
SMILESO=C1CC2(CCN(Cc3ccc4c(c3)OCCCCO4)C2)CN1
InChIInChI=1S/C18H24N2O3/c21-17-10-18(12-19-17)5-6-20(13-18)11-14-3-4-15-16(9-14)23-8-2-1-7-22-15/h3-4,9H,1-2,5-8,10-13H2,(H,19,21)
InChIKeyZBDAUXFFWOOBNV-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.95
Rot. Bonds2

About 2-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-ylmethyl)-2,7-diazaspiro[4.4]nonan-8-one

2-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-ylmethyl)-2,7-diazaspiro[4.4]nonan-8-one (PubChem CID 128550324) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-ylmethyl)-2,7-diazaspiro[4.4]nonan-8-one.

Molecular Properties

Compound Name2-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-ylmethyl)-2,7-diazaspiro[4.4]nonan-8-one
PubChem CID128550324
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name2-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-ylmethyl)-2,7-diazaspiro[4.4]nonan-8-one
SMILESO=C1CC2(CCN(Cc3ccc4c(c3)OCCCCO4)C2)CN1
InChIInChI=1S/C18H24N2O3/c21-17-10-18(12-19-17)5-6-20(13-18)11-14-3-4-15-16(9-14)23-8-2-1-7-22-15/h3-4,9H,1-2,5-8,10-13H2,(H,19,21)
InChIKeyZBDAUXFFWOOBNV-UHFFFAOYSA-N
XLogP1.95
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-ylmethyl)-2,7-diazaspiro[4.4]nonan-8-one with MolForge

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Related Compounds

7-(1,3-benzodioxol-5-ylmethyl)-2-oxa-7-azaspiro[3.4]octane
CID 46889877
2-[3-(piperidin-1-ylmethyl)benzoyl]-2,7-diazaspiro[4.4]nonan-8-one
CID 128714057
8-[(2-cyclohexylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70754125
2-[[(5R)-2-(1,3-benzodioxol-5-ylmethyl)-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole
CID 97482790
2-[[2-(1,3-benzodioxol-5-ylmethyl)-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole
CID 131657936
(5S)-2-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonan-8-one
CID 164630835
9-[(4-ethylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 98896652
7-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)-4H-1,4-benzoxazin-3-one
CID 168924982
1-(1,3-benzodioxol-5-ylmethyl)-3-prop-2-enylpiperidine-3-carboxylic acid
CID 72922657
(3S)-1-(1,3-benzodioxol-5-ylmethyl)-3-prop-2-enylpiperidine-3-carboxylic acid
CID 97148072
1-(1,3-benzodioxol-5-ylmethyl)azepane
CID 765340
2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908504

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-ylmethyl)-2,7-diazaspiro[4.4]nonan-8-one?
The IUPAC name of 2-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-ylmethyl)-2,7-diazaspiro[4.4]nonan-8-one (CID 128550324) is 2-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-ylmethyl)-2,7-diazaspiro[4.4]nonan-8-one.
What is the SMILES notation for 2-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-ylmethyl)-2,7-diazaspiro[4.4]nonan-8-one?
The canonical SMILES for 2-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-ylmethyl)-2,7-diazaspiro[4.4]nonan-8-one is O=C1CC2(CCN(Cc3ccc4c(c3)OCCCCO4)C2)CN1.
What is the InChIKey of 2-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-ylmethyl)-2,7-diazaspiro[4.4]nonan-8-one?
The InChIKey is ZBDAUXFFWOOBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-17-10-18(12-19-17)5-6-20(13-18)11-14-3-4-15-16(9-14)23-8-2-1-7-22-15/h3-4,9H,1-2,5-8,10-13H2,(H,19,21).
What are the key properties of 2-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-ylmethyl)-2,7-diazaspiro[4.4]nonan-8-one?
2-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-ylmethyl)-2,7-diazaspiro[4.4]nonan-8-one has a molecular weight of 316.40 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-ylmethyl)-2,7-diazaspiro[4.4]nonan-8-one is sourced from PubChem (CID 128550324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).