8-[[4-(2,3-dihydro-1,4-benzodioxin-3-yl)phenyl]methyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one

C24H28N2O3 — CID 78164155

IUPAC8-[[4-(2,3-dihydro-1,4-benzodioxin-3-yl)phenyl]methyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one
SMILESCN1CCC2(CCN(Cc3ccc(C4COc5ccccc5O4)cc3)CC2)C1=O
InChIInChI=1S/C24H28N2O3/c1-25-13-10-24(23(25)27)11-14-26(15-12-24)16-18-6-8-19(9-7-18)22-17-28-20-4-2-3-5-21(20)29-22/h2-9,22H,10-17H2,1H3
InChIKeySTMXPUPEJSPFAA-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.64
Rot. Bonds3

About 8-[[4-(2,3-dihydro-1,4-benzodioxin-3-yl)phenyl]methyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one

8-[[4-(2,3-dihydro-1,4-benzodioxin-3-yl)phenyl]methyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 78164155) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 8-[[4-(2,3-dihydro-1,4-benzodioxin-3-yl)phenyl]methyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[[4-(2,3-dihydro-1,4-benzodioxin-3-yl)phenyl]methyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID78164155
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name8-[[4-(2,3-dihydro-1,4-benzodioxin-3-yl)phenyl]methyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one
SMILESCN1CCC2(CCN(Cc3ccc(C4COc5ccccc5O4)cc3)CC2)C1=O
InChIInChI=1S/C24H28N2O3/c1-25-13-10-24(23(25)27)11-14-26(15-12-24)16-18-6-8-19(9-7-18)22-17-28-20-4-2-3-5-21(20)29-22/h2-9,22H,10-17H2,1H3
InChIKeySTMXPUPEJSPFAA-UHFFFAOYSA-N
XLogP3.64
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[[4-(2,3-dihydro-1,4-benzodioxin-3-yl)phenyl]methyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[[4-(2,3-dihydro-1,4-benzodioxin-3-yl)phenyl]methyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one (CID 78164155) is 8-[[4-(2,3-dihydro-1,4-benzodioxin-3-yl)phenyl]methyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[[4-(2,3-dihydro-1,4-benzodioxin-3-yl)phenyl]methyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[[4-(2,3-dihydro-1,4-benzodioxin-3-yl)phenyl]methyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one is CN1CCC2(CCN(Cc3ccc(C4COc5ccccc5O4)cc3)CC2)C1=O.
What is the InChIKey of 8-[[4-(2,3-dihydro-1,4-benzodioxin-3-yl)phenyl]methyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is STMXPUPEJSPFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-25-13-10-24(23(25)27)11-14-26(15-12-24)16-18-6-8-19(9-7-18)22-17-28-20-4-2-3-5-21(20)29-22/h2-9,22H,10-17H2,1H3.
What are the key properties of 8-[[4-(2,3-dihydro-1,4-benzodioxin-3-yl)phenyl]methyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
8-[[4-(2,3-dihydro-1,4-benzodioxin-3-yl)phenyl]methyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 392.50 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-(2,3-dihydro-1,4-benzodioxin-3-yl)phenyl]methyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 78164155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).