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

C22H32N2O — CID 24776407

IUPAC1'-(4-propan-2-ylcyclohexyl)spiro[1,2-dihydroisoquinoline-4,4'-piperidine]-3-one
SMILESCC(C)C1CCC(N2CCC3(CC2)C(=O)NCc2ccccc23)CC1
InChIInChI=1S/C22H32N2O/c1-16(2)17-7-9-19(10-8-17)24-13-11-22(12-14-24)20-6-4-3-5-18(20)15-23-21(22)25/h3-6,16-17,19H,7-15H2,1-2H3,(H,23,25)
InChIKeyLQPUWGBXGMGDOV-UHFFFAOYSA-N
MW340.51 g/mol
LogP3.86
Rot. Bonds2

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

1'-(4-propan-2-ylcyclohexyl)spiro[1,2-dihydroisoquinoline-4,4'-piperidine]-3-one (PubChem CID 24776407) has the molecular formula C22H32N2O and a molecular weight of 340.51 g/mol. Its IUPAC name is 1'-(4-propan-2-ylcyclohexyl)spiro[1,2-dihydroisoquinoline-4,4'-piperidine]-3-one.

Molecular Properties

Compound Name1'-(4-propan-2-ylcyclohexyl)spiro[1,2-dihydroisoquinoline-4,4'-piperidine]-3-one
PubChem CID24776407
Molecular FormulaC22H32N2O
Molecular Weight340.51 g/mol
Exact Mass340.25
IUPAC Name1'-(4-propan-2-ylcyclohexyl)spiro[1,2-dihydroisoquinoline-4,4'-piperidine]-3-one
SMILESCC(C)C1CCC(N2CCC3(CC2)C(=O)NCc2ccccc23)CC1
InChIInChI=1S/C22H32N2O/c1-16(2)17-7-9-19(10-8-17)24-13-11-22(12-14-24)20-6-4-3-5-18(20)15-23-21(22)25/h3-6,16-17,19H,7-15H2,1-2H3,(H,23,25)
InChIKeyLQPUWGBXGMGDOV-UHFFFAOYSA-N
XLogP3.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-(4-propan-2-ylcyclohexyl)spiro[1,2-dihydroisoquinoline-4,4'-piperidine]-3-one?
The IUPAC name of 1'-(4-propan-2-ylcyclohexyl)spiro[1,2-dihydroisoquinoline-4,4'-piperidine]-3-one (CID 24776407) is 1'-(4-propan-2-ylcyclohexyl)spiro[1,2-dihydroisoquinoline-4,4'-piperidine]-3-one.
What is the SMILES notation for 1'-(4-propan-2-ylcyclohexyl)spiro[1,2-dihydroisoquinoline-4,4'-piperidine]-3-one?
The canonical SMILES for 1'-(4-propan-2-ylcyclohexyl)spiro[1,2-dihydroisoquinoline-4,4'-piperidine]-3-one is CC(C)C1CCC(N2CCC3(CC2)C(=O)NCc2ccccc23)CC1.
What is the InChIKey of 1'-(4-propan-2-ylcyclohexyl)spiro[1,2-dihydroisoquinoline-4,4'-piperidine]-3-one?
The InChIKey is LQPUWGBXGMGDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O/c1-16(2)17-7-9-19(10-8-17)24-13-11-22(12-14-24)20-6-4-3-5-18(20)15-23-21(22)25/h3-6,16-17,19H,7-15H2,1-2H3,(H,23,25).
What are the key properties of 1'-(4-propan-2-ylcyclohexyl)spiro[1,2-dihydroisoquinoline-4,4'-piperidine]-3-one?
1'-(4-propan-2-ylcyclohexyl)spiro[1,2-dihydroisoquinoline-4,4'-piperidine]-3-one has a molecular weight of 340.51 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-propan-2-ylcyclohexyl)spiro[1,2-dihydroisoquinoline-4,4'-piperidine]-3-one is sourced from PubChem (CID 24776407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).