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

C25H30ClN3O — CID 23854059

IUPACN-(4-chlorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCC(C)=CCN1CCC2(CC1)CN(C(=O)Nc1ccc(Cl)cc1)c1ccc(C)cc12
InChIInChI=1S/C25H30ClN3O/c1-18(2)10-13-28-14-11-25(12-15-28)17-29(23-9-4-19(3)16-22(23)25)24(30)27-21-7-5-20(26)6-8-21/h4-10,16H,11-15,17H2,1-3H3,(H,27,30)
InChIKeyHVTJHLAPLOMKHJ-UHFFFAOYSA-N
MW423.99 g/mol
LogP6.00
Rot. Bonds3

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

N-(4-chlorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide (PubChem CID 23854059) has the molecular formula C25H30ClN3O and a molecular weight of 423.99 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
PubChem CID23854059
Molecular FormulaC25H30ClN3O
Molecular Weight423.99 g/mol
Exact Mass423.21
IUPAC NameN-(4-chlorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCC(C)=CCN1CCC2(CC1)CN(C(=O)Nc1ccc(Cl)cc1)c1ccc(C)cc12
InChIInChI=1S/C25H30ClN3O/c1-18(2)10-13-28-14-11-25(12-15-28)17-29(23-9-4-19(3)16-22(23)25)24(30)27-21-7-5-20(26)6-8-21/h4-10,16H,11-15,17H2,1-3H3,(H,27,30)
InChIKeyHVTJHLAPLOMKHJ-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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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide (CID 23854059) is N-(4-chlorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide is CC(C)=CCN1CCC2(CC1)CN(C(=O)Nc1ccc(Cl)cc1)c1ccc(C)cc12.
What is the InChIKey of N-(4-chlorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The InChIKey is HVTJHLAPLOMKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O/c1-18(2)10-13-28-14-11-25(12-15-28)17-29(23-9-4-19(3)16-22(23)25)24(30)27-21-7-5-20(26)6-8-21/h4-10,16H,11-15,17H2,1-3H3,(H,27,30).
What are the key properties of N-(4-chlorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
N-(4-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-(4-chlorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 23854059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).