(2-fluorophenyl)-(5-hydroxy-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone

C22H23FN2O2 — CID 59003905

IUPAC(2-fluorophenyl)-(5-hydroxy-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone
SMILESC=CCN1CCC2(CC1)CN(C(=O)c1ccccc1F)c1ccc(O)cc12
InChIInChI=1S/C22H23FN2O2/c1-2-11-24-12-9-22(10-13-24)15-25(20-8-7-16(26)14-18(20)22)21(27)17-5-3-4-6-19(17)23/h2-8,14,26H,1,9-13,15H2
InChIKeyMGZJATJPFJVFDW-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.71
Rot. Bonds3

About (2-fluorophenyl)-(5-hydroxy-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone

(2-fluorophenyl)-(5-hydroxy-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone (PubChem CID 59003905) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is (2-fluorophenyl)-(5-hydroxy-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-(5-hydroxy-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone
PubChem CID59003905
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Name(2-fluorophenyl)-(5-hydroxy-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone
SMILESC=CCN1CCC2(CC1)CN(C(=O)c1ccccc1F)c1ccc(O)cc12
InChIInChI=1S/C22H23FN2O2/c1-2-11-24-12-9-22(10-13-24)15-25(20-8-7-16(26)14-18(20)22)21(27)17-5-3-4-6-19(17)23/h2-8,14,26H,1,9-13,15H2
InChIKeyMGZJATJPFJVFDW-UHFFFAOYSA-N
XLogP3.71
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
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 (2-fluorophenyl)-(5-hydroxy-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone?
The IUPAC name of (2-fluorophenyl)-(5-hydroxy-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone (CID 59003905) is (2-fluorophenyl)-(5-hydroxy-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone.
What is the SMILES notation for (2-fluorophenyl)-(5-hydroxy-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone?
The canonical SMILES for (2-fluorophenyl)-(5-hydroxy-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone is C=CCN1CCC2(CC1)CN(C(=O)c1ccccc1F)c1ccc(O)cc12.
What is the InChIKey of (2-fluorophenyl)-(5-hydroxy-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone?
The InChIKey is MGZJATJPFJVFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c1-2-11-24-12-9-22(10-13-24)15-25(20-8-7-16(26)14-18(20)22)21(27)17-5-3-4-6-19(17)23/h2-8,14,26H,1,9-13,15H2.
What are the key properties of (2-fluorophenyl)-(5-hydroxy-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone?
(2-fluorophenyl)-(5-hydroxy-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone has a molecular weight of 366.44 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-(5-hydroxy-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone is sourced from PubChem (CID 59003905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).