1'-(4-cyclohexylcyclohexyl)spiro[1,2-dihydroisoquinoline-4,4'-piperidine]-3-one

C25H36N2O — CID 134578377

IUPAC1'-(4-cyclohexylcyclohexyl)spiro[1,2-dihydroisoquinoline-4,4'-piperidine]-3-one
SMILESO=C1NCc2ccccc2C12CCN(C1CCC(C3CCCCC3)CC1)CC2
InChIInChI=1S/C25H36N2O/c28-24-25(23-9-5-4-8-21(23)18-26-24)14-16-27(17-15-25)22-12-10-20(11-13-22)19-6-2-1-3-7-19/h4-5,8-9,19-20,22H,1-3,6-7,10-18H2,(H,26,28)
InChIKeyIIVNTKNOIKQLQW-UHFFFAOYSA-N
MW380.58 g/mol
LogP4.79
Rot. Bonds2

About 1'-(4-cyclohexylcyclohexyl)spiro[1,2-dihydroisoquinoline-4,4'-piperidine]-3-one

1'-(4-cyclohexylcyclohexyl)spiro[1,2-dihydroisoquinoline-4,4'-piperidine]-3-one (PubChem CID 134578377) has the molecular formula C25H36N2O and a molecular weight of 380.58 g/mol. Its IUPAC name is 1'-(4-cyclohexylcyclohexyl)spiro[1,2-dihydroisoquinoline-4,4'-piperidine]-3-one.

Molecular Properties

Compound Name1'-(4-cyclohexylcyclohexyl)spiro[1,2-dihydroisoquinoline-4,4'-piperidine]-3-one
PubChem CID134578377
Molecular FormulaC25H36N2O
Molecular Weight380.58 g/mol
Exact Mass380.28
IUPAC Name1'-(4-cyclohexylcyclohexyl)spiro[1,2-dihydroisoquinoline-4,4'-piperidine]-3-one
SMILESO=C1NCc2ccccc2C12CCN(C1CCC(C3CCCCC3)CC1)CC2
InChIInChI=1S/C25H36N2O/c28-24-25(23-9-5-4-8-21(23)18-26-24)14-16-27(17-15-25)22-12-10-20(11-13-22)19-6-2-1-3-7-19/h4-5,8-9,19-20,22H,1-3,6-7,10-18H2,(H,26,28)
InChIKeyIIVNTKNOIKQLQW-UHFFFAOYSA-N
XLogP4.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.58
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-(4-cyclohexylcyclohexyl)spiro[1,2-dihydroisoquinoline-4,4'-piperidine]-3-one?
The IUPAC name of 1'-(4-cyclohexylcyclohexyl)spiro[1,2-dihydroisoquinoline-4,4'-piperidine]-3-one (CID 134578377) is 1'-(4-cyclohexylcyclohexyl)spiro[1,2-dihydroisoquinoline-4,4'-piperidine]-3-one.
What is the SMILES notation for 1'-(4-cyclohexylcyclohexyl)spiro[1,2-dihydroisoquinoline-4,4'-piperidine]-3-one?
The canonical SMILES for 1'-(4-cyclohexylcyclohexyl)spiro[1,2-dihydroisoquinoline-4,4'-piperidine]-3-one is O=C1NCc2ccccc2C12CCN(C1CCC(C3CCCCC3)CC1)CC2.
What is the InChIKey of 1'-(4-cyclohexylcyclohexyl)spiro[1,2-dihydroisoquinoline-4,4'-piperidine]-3-one?
The InChIKey is IIVNTKNOIKQLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O/c28-24-25(23-9-5-4-8-21(23)18-26-24)14-16-27(17-15-25)22-12-10-20(11-13-22)19-6-2-1-3-7-19/h4-5,8-9,19-20,22H,1-3,6-7,10-18H2,(H,26,28).
What are the key properties of 1'-(4-cyclohexylcyclohexyl)spiro[1,2-dihydroisoquinoline-4,4'-piperidine]-3-one?
1'-(4-cyclohexylcyclohexyl)spiro[1,2-dihydroisoquinoline-4,4'-piperidine]-3-one has a molecular weight of 380.58 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-cyclohexylcyclohexyl)spiro[1,2-dihydroisoquinoline-4,4'-piperidine]-3-one is sourced from PubChem (CID 134578377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).