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

C23H34N2O — CID 24776409

IUPAC1'-(4-tert-butylcyclohexyl)spiro[1,2-dihydroisoquinoline-4,4'-piperidine]-3-one
SMILESCC(C)(C)C1CCC(N2CCC3(CC2)C(=O)NCc2ccccc23)CC1
InChIInChI=1S/C23H34N2O/c1-22(2,3)18-8-10-19(11-9-18)25-14-12-23(13-15-25)20-7-5-4-6-17(20)16-24-21(23)26/h4-7,18-19H,8-16H2,1-3H3,(H,24,26)
InChIKeyNKQWPIBQHVKIOM-UHFFFAOYSA-N
MW354.54 g/mol
LogP4.25
Rot. Bonds1

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

1'-(4-tert-butylcyclohexyl)spiro[1,2-dihydroisoquinoline-4,4'-piperidine]-3-one (PubChem CID 24776409) has the molecular formula C23H34N2O and a molecular weight of 354.54 g/mol. Its IUPAC name is 1'-(4-tert-butylcyclohexyl)spiro[1,2-dihydroisoquinoline-4,4'-piperidine]-3-one.

Molecular Properties

Compound Name1'-(4-tert-butylcyclohexyl)spiro[1,2-dihydroisoquinoline-4,4'-piperidine]-3-one
PubChem CID24776409
Molecular FormulaC23H34N2O
Molecular Weight354.54 g/mol
Exact Mass354.27
IUPAC Name1'-(4-tert-butylcyclohexyl)spiro[1,2-dihydroisoquinoline-4,4'-piperidine]-3-one
SMILESCC(C)(C)C1CCC(N2CCC3(CC2)C(=O)NCc2ccccc23)CC1
InChIInChI=1S/C23H34N2O/c1-22(2,3)18-8-10-19(11-9-18)25-14-12-23(13-15-25)20-7-5-4-6-17(20)16-24-21(23)26/h4-7,18-19H,8-16H2,1-3H3,(H,24,26)
InChIKeyNKQWPIBQHVKIOM-UHFFFAOYSA-N
XLogP4.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-(4-tert-butylcyclohexyl)spiro[1,2-dihydroisoquinoline-4,4'-piperidine]-3-one?
The IUPAC name of 1'-(4-tert-butylcyclohexyl)spiro[1,2-dihydroisoquinoline-4,4'-piperidine]-3-one (CID 24776409) is 1'-(4-tert-butylcyclohexyl)spiro[1,2-dihydroisoquinoline-4,4'-piperidine]-3-one.
What is the SMILES notation for 1'-(4-tert-butylcyclohexyl)spiro[1,2-dihydroisoquinoline-4,4'-piperidine]-3-one?
The canonical SMILES for 1'-(4-tert-butylcyclohexyl)spiro[1,2-dihydroisoquinoline-4,4'-piperidine]-3-one is CC(C)(C)C1CCC(N2CCC3(CC2)C(=O)NCc2ccccc23)CC1.
What is the InChIKey of 1'-(4-tert-butylcyclohexyl)spiro[1,2-dihydroisoquinoline-4,4'-piperidine]-3-one?
The InChIKey is NKQWPIBQHVKIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O/c1-22(2,3)18-8-10-19(11-9-18)25-14-12-23(13-15-25)20-7-5-4-6-17(20)16-24-21(23)26/h4-7,18-19H,8-16H2,1-3H3,(H,24,26).
What are the key properties of 1'-(4-tert-butylcyclohexyl)spiro[1,2-dihydroisoquinoline-4,4'-piperidine]-3-one?
1'-(4-tert-butylcyclohexyl)spiro[1,2-dihydroisoquinoline-4,4'-piperidine]-3-one has a molecular weight of 354.54 g/mol, XLogP of 4.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-tert-butylcyclohexyl)spiro[1,2-dihydroisoquinoline-4,4'-piperidine]-3-one is sourced from PubChem (CID 24776409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).