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

C21H23N3O3 — CID 10292279

IUPAC8-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(C1COc3ccccc3O1)CC2
InChIInChI=1S/C21H23N3O3/c25-20-21(24(15-22-20)16-6-2-1-3-7-16)10-12-23(13-11-21)19-14-26-17-8-4-5-9-18(17)27-19/h1-9,19H,10-15H2,(H,22,25)
InChIKeyNXRMQIJKYWSBCD-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.21
Rot. Bonds2

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

8-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 10292279) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 8-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID10292279
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name8-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(C1COc3ccccc3O1)CC2
InChIInChI=1S/C21H23N3O3/c25-20-21(24(15-22-20)16-6-2-1-3-7-16)10-12-23(13-11-21)19-14-26-17-8-4-5-9-18(17)27-19/h1-9,19H,10-15H2,(H,22,25)
InChIKeyNXRMQIJKYWSBCD-UHFFFAOYSA-N
XLogP2.21
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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1-(2,3-dihydro-1,4-benzodioxin-3-yl)piperidine
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1-phenyl-8-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-1,3,8-triazaspiro[4.5]decan-4-one
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8-(3-methyl-2,3-dihydro-1H-inden-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride
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8-(1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride
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8-(2,3-dihydro-1H-inden-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;1-phenyl-8-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,8-triazaspiro[4.5]decan-4-one
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Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 10292279) is 8-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is O=C1NCN(c2ccccc2)C12CCN(C1COc3ccccc3O1)CC2.
What is the InChIKey of 8-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is NXRMQIJKYWSBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c25-20-21(24(15-22-20)16-6-2-1-3-7-16)10-12-23(13-11-21)19-14-26-17-8-4-5-9-18(17)27-19/h1-9,19H,10-15H2,(H,22,25).
What are the key properties of 8-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
8-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 365.43 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 10292279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).