N-(3-fluorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide

C25H30FN3O — CID 23740559

IUPACN-(3-fluorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCC(C)=CCN1CCC2(CC1)CN(C(=O)Nc1cccc(F)c1)c1ccc(C)cc12
InChIInChI=1S/C25H30FN3O/c1-18(2)9-12-28-13-10-25(11-14-28)17-29(23-8-7-19(3)15-22(23)25)24(30)27-21-6-4-5-20(26)16-21/h4-9,15-16H,10-14,17H2,1-3H3,(H,27,30)
InChIKeyKCCTVCYVUBFBDI-UHFFFAOYSA-N
MW407.53 g/mol
LogP5.49
Rot. Bonds3

About N-(3-fluorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide

N-(3-fluorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide (PubChem CID 23740559) has the molecular formula C25H30FN3O and a molecular weight of 407.53 g/mol. Its IUPAC name is N-(3-fluorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
PubChem CID23740559
Molecular FormulaC25H30FN3O
Molecular Weight407.53 g/mol
Exact Mass407.24
IUPAC NameN-(3-fluorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCC(C)=CCN1CCC2(CC1)CN(C(=O)Nc1cccc(F)c1)c1ccc(C)cc12
InChIInChI=1S/C25H30FN3O/c1-18(2)9-12-28-13-10-25(11-14-28)17-29(23-8-7-19(3)15-22(23)25)24(30)27-21-6-4-5-20(26)16-21/h4-9,15-16H,10-14,17H2,1-3H3,(H,27,30)
InChIKeyKCCTVCYVUBFBDI-UHFFFAOYSA-N
XLogP5.49
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.53
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23854059
1'-cyclopropyl-N-(3-fluorophenyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23877217
N-(2-chlorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23769527
5-fluoro-N-(3-fluorophenyl)-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23856682
1'-ethyl-N-(4-fluorophenyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23798613
5-fluoro-1'-(3-methylbut-2-enyl)-N-propylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23769084
1-[5-fluoro-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-3-methylbut-2-en-1-one
CID 23733302
N-(4-fluorophenyl)-1',5-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23827573
1'-(cyclopropylmethyl)-5-fluoro-N-(3-methoxyphenyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 59004167
5-fluoro-N-(3-fluorophenyl)-1'-[(4-nitrophenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23932421
1-[5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-2-thiophen-2-ylethanone
CID 23961555
5-fluoro-N-(4-fluorophenyl)-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23876609

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide (CID 23740559) is N-(3-fluorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide is CC(C)=CCN1CCC2(CC1)CN(C(=O)Nc1cccc(F)c1)c1ccc(C)cc12.
What is the InChIKey of N-(3-fluorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The InChIKey is KCCTVCYVUBFBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O/c1-18(2)9-12-28-13-10-25(11-14-28)17-29(23-8-7-19(3)15-22(23)25)24(30)27-21-6-4-5-20(26)16-21/h4-9,15-16H,10-14,17H2,1-3H3,(H,27,30).
What are the key properties of N-(3-fluorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
N-(3-fluorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide has a molecular weight of 407.53 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 23740559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).