methyl 4-(5-fluoro-1-formylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate

C20H26FN3O3 — CID 89344844

IUPACmethyl 4-(5-fluoro-1-formylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(N2CCC3(CC2)CN(C=O)c2ccc(F)cc23)CC1
InChIInChI=1S/C20H26FN3O3/c1-27-19(26)23-8-4-16(5-9-23)22-10-6-20(7-11-22)13-24(14-25)18-3-2-15(21)12-17(18)20/h2-3,12,14,16H,4-11,13H2,1H3
InChIKeyUWUQQMITAWAWLW-UHFFFAOYSA-N
MW375.44 g/mol
LogP2.37
Rot. Bonds2

About methyl 4-(5-fluoro-1-formylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate

methyl 4-(5-fluoro-1-formylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate (PubChem CID 89344844) has the molecular formula C20H26FN3O3 and a molecular weight of 375.44 g/mol. Its IUPAC name is methyl 4-(5-fluoro-1-formylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(5-fluoro-1-formylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate
PubChem CID89344844
Molecular FormulaC20H26FN3O3
Molecular Weight375.44 g/mol
Exact Mass375.20
IUPAC Namemethyl 4-(5-fluoro-1-formylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(N2CCC3(CC2)CN(C=O)c2ccc(F)cc23)CC1
InChIInChI=1S/C20H26FN3O3/c1-27-19(26)23-8-4-16(5-9-23)22-10-6-20(7-11-22)13-24(14-25)18-3-2-15(21)12-17(18)20/h2-3,12,14,16H,4-11,13H2,1H3
InChIKeyUWUQQMITAWAWLW-UHFFFAOYSA-N
XLogP2.37
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 4-(5-fluoro-1-formylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-fluoro-1-formylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate?
The IUPAC name of methyl 4-(5-fluoro-1-formylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate (CID 89344844) is methyl 4-(5-fluoro-1-formylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-(5-fluoro-1-formylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate?
The canonical SMILES for methyl 4-(5-fluoro-1-formylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate is COC(=O)N1CCC(N2CCC3(CC2)CN(C=O)c2ccc(F)cc23)CC1.
What is the InChIKey of methyl 4-(5-fluoro-1-formylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate?
The InChIKey is UWUQQMITAWAWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O3/c1-27-19(26)23-8-4-16(5-9-23)22-10-6-20(7-11-22)13-24(14-25)18-3-2-15(21)12-17(18)20/h2-3,12,14,16H,4-11,13H2,1H3.
What are the key properties of methyl 4-(5-fluoro-1-formylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate?
methyl 4-(5-fluoro-1-formylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate has a molecular weight of 375.44 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-fluoro-1-formylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate is sourced from PubChem (CID 89344844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).