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

C22H25N3O2 — CID 18782396

IUPAC8-(3,4-dihydro-2H-chromen-4-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(C1CCOc3ccccc31)CC2
InChIInChI=1S/C22H25N3O2/c26-21-22(25(16-23-21)17-6-2-1-3-7-17)11-13-24(14-12-22)19-10-15-27-20-9-5-4-8-18(19)20/h1-9,19H,10-16H2,(H,23,26)
InChIKeyMVFDPXNNNVOLFM-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.94
Rot. Bonds2

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

8-(3,4-dihydro-2H-chromen-4-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 18782396) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 8-(3,4-dihydro-2H-chromen-4-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-(3,4-dihydro-2H-chromen-4-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID18782396
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name8-(3,4-dihydro-2H-chromen-4-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(C1CCOc3ccccc31)CC2
InChIInChI=1S/C22H25N3O2/c26-21-22(25(16-23-21)17-6-2-1-3-7-17)11-13-24(14-12-22)19-10-15-27-20-9-5-4-8-18(19)20/h1-9,19H,10-16H2,(H,23,26)
InChIKeyMVFDPXNNNVOLFM-UHFFFAOYSA-N
XLogP2.94
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
CID 70217411
8-(5-methyl-2,3-dihydro-1H-inden-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 18782349
8-cyclododecyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 10000890
8-cyclohexyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 11781971
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
CID 10137134
8-(1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride
CID 18782446
8-[(3aR,9bS)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-2-yl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 70169720
1-(3,4-dihydro-2H-chromen-4-yl)-N,4-dimethylpiperidin-4-amine
CID 115303934
8-(4-ethylcyclohexyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride
CID 19347392
8-(5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 18782339
1-phenyl-8-(4-propylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride
CID 18801214
1-(3,4-dihydro-2H-chromen-4-yl)pyrrolidin-3-one
CID 62365917

Frequently Asked Questions

What is the IUPAC name of 8-(3,4-dihydro-2H-chromen-4-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-(3,4-dihydro-2H-chromen-4-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 18782396) is 8-(3,4-dihydro-2H-chromen-4-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-(3,4-dihydro-2H-chromen-4-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-(3,4-dihydro-2H-chromen-4-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is O=C1NCN(c2ccccc2)C12CCN(C1CCOc3ccccc31)CC2.
What is the InChIKey of 8-(3,4-dihydro-2H-chromen-4-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is MVFDPXNNNVOLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c26-21-22(25(16-23-21)17-6-2-1-3-7-17)11-13-24(14-12-22)19-10-15-27-20-9-5-4-8-18(19)20/h1-9,19H,10-16H2,(H,23,26).
What are the key properties of 8-(3,4-dihydro-2H-chromen-4-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
8-(3,4-dihydro-2H-chromen-4-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 363.46 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-dihydro-2H-chromen-4-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 18782396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).