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

C25H30ClN3O — CID 23769527

IUPACN-(2-chlorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCC(C)=CCN1CCC2(CC1)CN(C(=O)Nc1ccccc1Cl)c1ccc(C)cc12
InChIInChI=1S/C25H30ClN3O/c1-18(2)10-13-28-14-11-25(12-15-28)17-29(23-9-8-19(3)16-20(23)25)24(30)27-22-7-5-4-6-21(22)26/h4-10,16H,11-15,17H2,1-3H3,(H,27,30)
InChIKeyDJOTZBJOOULYAA-UHFFFAOYSA-N
MW423.99 g/mol
LogP6.00
Rot. Bonds3

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

N-(2-chlorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide (PubChem CID 23769527) has the molecular formula C25H30ClN3O and a molecular weight of 423.99 g/mol. Its IUPAC name is N-(2-chlorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
PubChem CID23769527
Molecular FormulaC25H30ClN3O
Molecular Weight423.99 g/mol
Exact Mass423.21
IUPAC NameN-(2-chlorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCC(C)=CCN1CCC2(CC1)CN(C(=O)Nc1ccccc1Cl)c1ccc(C)cc12
InChIInChI=1S/C25H30ClN3O/c1-18(2)10-13-28-14-11-25(12-15-28)17-29(23-9-8-19(3)16-20(23)25)24(30)27-22-7-5-4-6-21(22)26/h4-10,16H,11-15,17H2,1-3H3,(H,27,30)
InChIKeyDJOTZBJOOULYAA-UHFFFAOYSA-N
XLogP6.00
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.99
LogP ≤ 56.00
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-[5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-2-thiophen-2-ylethanone
CID 23961555
N-ethyl-5-methyl-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23903479
(2-chlorophenyl)methyl 5-methyl-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 23911681
1'-ethyl-N-(4-fluorophenyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23798613
N-(2,3-dichlorophenyl)-5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23764412
N-(2-chlorophenyl)-2-[4-(3-methylbut-2-enyl)piperazin-1-yl]acetamide
CID 8800016
1-[5-fluoro-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-3-methylbut-2-en-1-one
CID 23733302
1'-cyclopropyl-N-(3-fluorophenyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23877217
5-fluoro-N-(4-fluorophenyl)-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23876609
1-[1'-[(3-chlorophenyl)methyl]-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl]-3-phenylpropan-1-one
CID 23770953
N-cyclohexyl-5-methyl-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23909492

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide (CID 23769527) is N-(2-chlorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide is CC(C)=CCN1CCC2(CC1)CN(C(=O)Nc1ccccc1Cl)c1ccc(C)cc12.
What is the InChIKey of N-(2-chlorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The InChIKey is DJOTZBJOOULYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O/c1-18(2)10-13-28-14-11-25(12-15-28)17-29(23-9-8-19(3)16-20(23)25)24(30)27-22-7-5-4-6-21(22)26/h4-10,16H,11-15,17H2,1-3H3,(H,27,30).
What are the key properties of N-(2-chlorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
N-(2-chlorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide has a molecular weight of 423.99 g/mol, XLogP of 6.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 23769527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).