1-phenyl-8-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,3,8-triazaspiro[4.5]decan-4-one

C24H29N3O — CID 10156328

IUPAC1-phenyl-8-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(CC1CCCc3ccccc31)CC2
InChIInChI=1S/C24H29N3O/c28-23-24(27(18-25-23)21-10-2-1-3-11-21)13-15-26(16-14-24)17-20-9-6-8-19-7-4-5-12-22(19)20/h1-5,7,10-12,20H,6,8-9,13-18H2,(H,25,28)
InChIKeyVRCULFUJKTVYRN-UHFFFAOYSA-N
MW375.52 g/mol
LogP3.54
Rot. Bonds3

About 1-phenyl-8-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,3,8-triazaspiro[4.5]decan-4-one

1-phenyl-8-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 10156328) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is 1-phenyl-8-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name1-phenyl-8-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID10156328
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name1-phenyl-8-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(CC1CCCc3ccccc31)CC2
InChIInChI=1S/C24H29N3O/c28-23-24(27(18-25-23)21-10-2-1-3-11-21)13-15-26(16-14-24)17-20-9-6-8-19-7-4-5-12-22(19)20/h1-5,7,10-12,20H,6,8-9,13-18H2,(H,25,28)
InChIKeyVRCULFUJKTVYRN-UHFFFAOYSA-N
XLogP3.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-phenyl-8-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,3,8-triazaspiro[4.5]decan-4-one with MolForge

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Related Compounds

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-(2,3-dihydrofuro[2,3-c]pyridin-3-ylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 10808772
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
8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 23377559
1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,4-diazepane
CID 63772764
8-(5-methyl-2,3-dihydro-1H-inden-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 18782349
1-(2-bromoethyl)-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine
CID 80678906
[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]methanol
CID 55242278
3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine
CID 64833584
6,6-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine-2,5-dione
CID 64879136
8-(3,4-dihydro-2H-chromen-4-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 18782396

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-8-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 1-phenyl-8-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,3,8-triazaspiro[4.5]decan-4-one (CID 10156328) is 1-phenyl-8-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 1-phenyl-8-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 1-phenyl-8-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,3,8-triazaspiro[4.5]decan-4-one is O=C1NCN(c2ccccc2)C12CCN(CC1CCCc3ccccc31)CC2.
What is the InChIKey of 1-phenyl-8-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is VRCULFUJKTVYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c28-23-24(27(18-25-23)21-10-2-1-3-11-21)13-15-26(16-14-24)17-20-9-6-8-19-7-4-5-12-22(19)20/h1-5,7,10-12,20H,6,8-9,13-18H2,(H,25,28).
What are the key properties of 1-phenyl-8-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,3,8-triazaspiro[4.5]decan-4-one?
1-phenyl-8-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 375.52 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-8-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 10156328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).