8-[2-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

C26H29ClF3N3O — CID 18441831

IUPAC8-[2-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(C1CCCCC1c1ccc(Cl)c(C(F)(F)F)c1)CC2
InChIInChI=1S/C26H29ClF3N3O/c27-22-11-10-18(16-21(22)26(28,29)30)20-8-4-5-9-23(20)32-14-12-25(13-15-32)24(34)31-17-33(25)19-6-2-1-3-7-19/h1-3,6-7,10-11,16,20,23H,4-5,8-9,12-15,17H2,(H,31,34)
InChIKeyYMDVHRSBNZMYOM-UHFFFAOYSA-N
MW491.99 g/mol
LogP5.81
Rot. Bonds3

About 8-[2-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

8-[2-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 18441831) has the molecular formula C26H29ClF3N3O and a molecular weight of 491.99 g/mol. Its IUPAC name is 8-[2-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-[2-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID18441831
Molecular FormulaC26H29ClF3N3O
Molecular Weight491.99 g/mol
Exact Mass491.20
IUPAC Name8-[2-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(C1CCCCC1c1ccc(Cl)c(C(F)(F)F)c1)CC2
InChIInChI=1S/C26H29ClF3N3O/c27-22-11-10-18(16-21(22)26(28,29)30)20-8-4-5-9-23(20)32-14-12-25(13-15-32)24(34)31-17-33(25)19-6-2-1-3-7-19/h1-3,6-7,10-11,16,20,23H,4-5,8-9,12-15,17H2,(H,31,34)
InChIKeyYMDVHRSBNZMYOM-UHFFFAOYSA-N
XLogP5.81
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.99
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-[2-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one with MolForge

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Related Compounds

1-(4-fluorophenyl)-8-(2-phenylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 18441784
1-(4-methylphenyl)-8-[(1R,2R)-2-phenylcyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one
CID 69486898
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-(cyclopropylmethyl)-8-[(1R,2R)-2-phenylcyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one
CID 69486557
1-benzyl-8-(2-phenylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 18441785
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
CID 19347382
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
8-(5-methyl-2,3-dihydro-1H-inden-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 18782349
8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 23377559
2-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 21082583

Frequently Asked Questions

What is the IUPAC name of 8-[2-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-[2-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 18441831) is 8-[2-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-[2-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-[2-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is O=C1NCN(c2ccccc2)C12CCN(C1CCCCC1c1ccc(Cl)c(C(F)(F)F)c1)CC2.
What is the InChIKey of 8-[2-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is YMDVHRSBNZMYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClF3N3O/c27-22-11-10-18(16-21(22)26(28,29)30)20-8-4-5-9-23(20)32-14-12-25(13-15-32)24(34)31-17-33(25)19-6-2-1-3-7-19/h1-3,6-7,10-11,16,20,23H,4-5,8-9,12-15,17H2,(H,31,34).
What are the key properties of 8-[2-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
8-[2-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 491.99 g/mol, XLogP of 5.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 18441831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).