1'-ethyl-N-(4-fluorophenyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide

C22H26FN3O — CID 23798613

IUPAC1'-ethyl-N-(4-fluorophenyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCCN1CCC2(CC1)CN(C(=O)Nc1ccc(F)cc1)c1ccc(C)cc12
InChIInChI=1S/C22H26FN3O/c1-3-25-12-10-22(11-13-25)15-26(20-9-4-16(2)14-19(20)22)21(27)24-18-7-5-17(23)6-8-18/h4-9,14H,3,10-13,15H2,1-2H3,(H,24,27)
InChIKeyIJBSGWJWUJDSAS-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.54
Rot. Bonds2

About 1'-ethyl-N-(4-fluorophenyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide

1'-ethyl-N-(4-fluorophenyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide (PubChem CID 23798613) has the molecular formula C22H26FN3O and a molecular weight of 367.47 g/mol. Its IUPAC name is 1'-ethyl-N-(4-fluorophenyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound Name1'-ethyl-N-(4-fluorophenyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
PubChem CID23798613
Molecular FormulaC22H26FN3O
Molecular Weight367.47 g/mol
Exact Mass367.21
IUPAC Name1'-ethyl-N-(4-fluorophenyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCCN1CCC2(CC1)CN(C(=O)Nc1ccc(F)cc1)c1ccc(C)cc12
InChIInChI=1S/C22H26FN3O/c1-3-25-12-10-22(11-13-25)15-26(20-9-4-16(2)14-19(20)22)21(27)24-18-7-5-17(23)6-8-18/h4-9,14H,3,10-13,15H2,1-2H3,(H,24,27)
InChIKeyIJBSGWJWUJDSAS-UHFFFAOYSA-N
XLogP4.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-ethyl-N-(4-fluorophenyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The IUPAC name of 1'-ethyl-N-(4-fluorophenyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide (CID 23798613) is 1'-ethyl-N-(4-fluorophenyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide.
What is the SMILES notation for 1'-ethyl-N-(4-fluorophenyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for 1'-ethyl-N-(4-fluorophenyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide is CCN1CCC2(CC1)CN(C(=O)Nc1ccc(F)cc1)c1ccc(C)cc12.
What is the InChIKey of 1'-ethyl-N-(4-fluorophenyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The InChIKey is IJBSGWJWUJDSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O/c1-3-25-12-10-22(11-13-25)15-26(20-9-4-16(2)14-19(20)22)21(27)24-18-7-5-17(23)6-8-18/h4-9,14H,3,10-13,15H2,1-2H3,(H,24,27).
What are the key properties of 1'-ethyl-N-(4-fluorophenyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
1'-ethyl-N-(4-fluorophenyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-ethyl-N-(4-fluorophenyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 23798613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).