8-[1-(4-chlorophenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one

C26H31ClN2O — CID 11223982

IUPAC8-[1-(4-chlorophenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NCC(c2ccccc2)C12CCN(C1(c3ccc(Cl)cc3)CCCCC1)CC2
InChIInChI=1S/C26H31ClN2O/c27-22-11-9-21(10-12-22)26(13-5-2-6-14-26)29-17-15-25(16-18-29)23(19-28-24(25)30)20-7-3-1-4-8-20/h1,3-4,7-12,23H,2,5-6,13-19H2,(H,28,30)
InChIKeyYTNXVSXBLIWWTH-UHFFFAOYSA-N
MW423.00 g/mol
LogP5.50
Rot. Bonds3

About 8-[1-(4-chlorophenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one

8-[1-(4-chlorophenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 11223982) has the molecular formula C26H31ClN2O and a molecular weight of 423.00 g/mol. Its IUPAC name is 8-[1-(4-chlorophenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[1-(4-chlorophenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID11223982
Molecular FormulaC26H31ClN2O
Molecular Weight423.00 g/mol
Exact Mass422.21
IUPAC Name8-[1-(4-chlorophenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NCC(c2ccccc2)C12CCN(C1(c3ccc(Cl)cc3)CCCCC1)CC2
InChIInChI=1S/C26H31ClN2O/c27-22-11-9-21(10-12-22)26(13-5-2-6-14-26)29-17-15-25(16-18-29)23(19-28-24(25)30)20-7-3-1-4-8-20/h1,3-4,7-12,23H,2,5-6,13-19H2,(H,28,30)
InChIKeyYTNXVSXBLIWWTH-UHFFFAOYSA-N
XLogP5.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.00
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-[1-(4-chlorophenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[1-(4-chlorophenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one (CID 11223982) is 8-[1-(4-chlorophenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[1-(4-chlorophenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[1-(4-chlorophenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one is O=C1NCC(c2ccccc2)C12CCN(C1(c3ccc(Cl)cc3)CCCCC1)CC2.
What is the InChIKey of 8-[1-(4-chlorophenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is YTNXVSXBLIWWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN2O/c27-22-11-9-21(10-12-22)26(13-5-2-6-14-26)29-17-15-25(16-18-29)23(19-28-24(25)30)20-7-3-1-4-8-20/h1,3-4,7-12,23H,2,5-6,13-19H2,(H,28,30).
What are the key properties of 8-[1-(4-chlorophenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one?
8-[1-(4-chlorophenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 423.00 g/mol, XLogP of 5.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(4-chlorophenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 11223982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).