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

C23H25FN2O2 — CID 23826544

IUPAC(4-fluorophenyl)-(5-methoxy-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone
SMILESC=CCN1CCC2(CC1)CN(C(=O)c1ccc(F)cc1)c1ccc(OC)cc12
InChIInChI=1S/C23H25FN2O2/c1-3-12-25-13-10-23(11-14-25)16-26(21-9-8-19(28-2)15-20(21)23)22(27)17-4-6-18(24)7-5-17/h3-9,15H,1,10-14,16H2,2H3
InChIKeyWBJZYXHFRKWPCG-UHFFFAOYSA-N
MW380.46 g/mol
LogP4.01
Rot. Bonds4

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

(4-fluorophenyl)-(5-methoxy-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone (PubChem CID 23826544) has the molecular formula C23H25FN2O2 and a molecular weight of 380.46 g/mol. Its IUPAC name is (4-fluorophenyl)-(5-methoxy-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-(5-methoxy-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone
PubChem CID23826544
Molecular FormulaC23H25FN2O2
Molecular Weight380.46 g/mol
Exact Mass380.19
IUPAC Name(4-fluorophenyl)-(5-methoxy-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone
SMILESC=CCN1CCC2(CC1)CN(C(=O)c1ccc(F)cc1)c1ccc(OC)cc12
InChIInChI=1S/C23H25FN2O2/c1-3-12-25-13-10-23(11-14-25)16-26(21-9-8-19(28-2)15-20(21)23)22(27)17-4-6-18(24)7-5-17/h3-9,15H,1,10-14,16H2,2H3
InChIKeyWBJZYXHFRKWPCG-UHFFFAOYSA-N
XLogP4.01
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.01
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 (4-fluorophenyl)-(5-methoxy-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone?
The IUPAC name of (4-fluorophenyl)-(5-methoxy-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone (CID 23826544) is (4-fluorophenyl)-(5-methoxy-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone.
What is the SMILES notation for (4-fluorophenyl)-(5-methoxy-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone?
The canonical SMILES for (4-fluorophenyl)-(5-methoxy-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone is C=CCN1CCC2(CC1)CN(C(=O)c1ccc(F)cc1)c1ccc(OC)cc12.
What is the InChIKey of (4-fluorophenyl)-(5-methoxy-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone?
The InChIKey is WBJZYXHFRKWPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O2/c1-3-12-25-13-10-23(11-14-25)16-26(21-9-8-19(28-2)15-20(21)23)22(27)17-4-6-18(24)7-5-17/h3-9,15H,1,10-14,16H2,2H3.
What are the key properties of (4-fluorophenyl)-(5-methoxy-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone?
(4-fluorophenyl)-(5-methoxy-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone has a molecular weight of 380.46 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(5-methoxy-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone is sourced from PubChem (CID 23826544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).