furan-2-yl-[5-methyl-1'-(3-methylidenecyclohexyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone

C25H30N2O2 — CID 89379555

IUPACfuran-2-yl-[5-methyl-1'-(3-methylidenecyclohexyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone
SMILESC=C1CCCC(N2CCC3(CC2)CN(C(=O)c2ccco2)c2ccc(C)cc23)C1
InChIInChI=1S/C25H30N2O2/c1-18-5-3-6-20(15-18)26-12-10-25(11-13-26)17-27(24(28)23-7-4-14-29-23)22-9-8-19(2)16-21(22)25/h4,7-9,14,16,20H,1,3,5-6,10-13,15,17H2,2H3
InChIKeyVLQYYSJIPJVTST-UHFFFAOYSA-N
MW390.53 g/mol
LogP5.08
Rot. Bonds2

About furan-2-yl-[5-methyl-1'-(3-methylidenecyclohexyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone

furan-2-yl-[5-methyl-1'-(3-methylidenecyclohexyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone (PubChem CID 89379555) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is furan-2-yl-[5-methyl-1'-(3-methylidenecyclohexyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[5-methyl-1'-(3-methylidenecyclohexyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone
PubChem CID89379555
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Namefuran-2-yl-[5-methyl-1'-(3-methylidenecyclohexyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone
SMILESC=C1CCCC(N2CCC3(CC2)CN(C(=O)c2ccco2)c2ccc(C)cc23)C1
InChIInChI=1S/C25H30N2O2/c1-18-5-3-6-20(15-18)26-12-10-25(11-13-26)17-27(24(28)23-7-4-14-29-23)22-9-8-19(2)16-21(22)25/h4,7-9,14,16,20H,1,3,5-6,10-13,15,17H2,2H3
InChIKeyVLQYYSJIPJVTST-UHFFFAOYSA-N
XLogP5.08
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[5-methyl-1'-(3-methylidenecyclohexyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone?
The IUPAC name of furan-2-yl-[5-methyl-1'-(3-methylidenecyclohexyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone (CID 89379555) is furan-2-yl-[5-methyl-1'-(3-methylidenecyclohexyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[5-methyl-1'-(3-methylidenecyclohexyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone?
The canonical SMILES for furan-2-yl-[5-methyl-1'-(3-methylidenecyclohexyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone is C=C1CCCC(N2CCC3(CC2)CN(C(=O)c2ccco2)c2ccc(C)cc23)C1.
What is the InChIKey of furan-2-yl-[5-methyl-1'-(3-methylidenecyclohexyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone?
The InChIKey is VLQYYSJIPJVTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-18-5-3-6-20(15-18)26-12-10-25(11-13-26)17-27(24(28)23-7-4-14-29-23)22-9-8-19(2)16-21(22)25/h4,7-9,14,16,20H,1,3,5-6,10-13,15,17H2,2H3.
What are the key properties of furan-2-yl-[5-methyl-1'-(3-methylidenecyclohexyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone?
furan-2-yl-[5-methyl-1'-(3-methylidenecyclohexyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone has a molecular weight of 390.53 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[5-methyl-1'-(3-methylidenecyclohexyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone is sourced from PubChem (CID 89379555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).