8-cyclohexyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

C19H27N3O — CID 11781971

IUPAC8-cyclohexyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(C1CCCCC1)CC2
InChIInChI=1S/C19H27N3O/c23-18-19(22(15-20-18)17-9-5-2-6-10-17)11-13-21(14-12-19)16-7-3-1-4-8-16/h2,5-6,9-10,16H,1,3-4,7-8,11-15H2,(H,20,23)
InChIKeyRKHMTVPPDQEMGU-UHFFFAOYSA-N
MW313.44 g/mol
LogP2.75
Rot. Bonds2

About 8-cyclohexyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

8-cyclohexyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 11781971) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is 8-cyclohexyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-cyclohexyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID11781971
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name8-cyclohexyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(C1CCCCC1)CC2
InChIInChI=1S/C19H27N3O/c23-18-19(22(15-20-18)17-9-5-2-6-10-17)11-13-21(14-12-19)16-7-3-1-4-8-16/h2,5-6,9-10,16H,1,3-4,7-8,11-15H2,(H,20,23)
InChIKeyRKHMTVPPDQEMGU-UHFFFAOYSA-N
XLogP2.75
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-cyclododecyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 10000890
8-(4-ethylcyclohexyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride
CID 19347392
1-phenyl-8-(4-propylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride
CID 18801214
8-cyclodecyl-1-(2-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride
CID 19347342
8-(5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 18782339
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-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 23377559
8-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 10292279
1-(4-fluorophenyl)-8-(2-phenylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 18441784
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-(7-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 10548749
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

Frequently Asked Questions

What is the IUPAC name of 8-cyclohexyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-cyclohexyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 11781971) is 8-cyclohexyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-cyclohexyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-cyclohexyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is O=C1NCN(c2ccccc2)C12CCN(C1CCCCC1)CC2.
What is the InChIKey of 8-cyclohexyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is RKHMTVPPDQEMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c23-18-19(22(15-20-18)17-9-5-2-6-10-17)11-13-21(14-12-19)16-7-3-1-4-8-16/h2,5-6,9-10,16H,1,3-4,7-8,11-15H2,(H,20,23).
What are the key properties of 8-cyclohexyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
8-cyclohexyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 313.44 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohexyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 11781971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).