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

C21H24FN3O — CID 23827573

IUPACN-(4-fluorophenyl)-1',5-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCc1ccc2c(c1)C1(CCN(C)CC1)CN2C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C21H24FN3O/c1-15-3-8-19-18(13-15)21(9-11-24(2)12-10-21)14-25(19)20(26)23-17-6-4-16(22)5-7-17/h3-8,13H,9-12,14H2,1-2H3,(H,23,26)
InChIKeyPZEXKNIDPMJQET-UHFFFAOYSA-N
MW353.44 g/mol
LogP4.15
Rot. Bonds1

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

N-(4-fluorophenyl)-1',5-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide (PubChem CID 23827573) has the molecular formula C21H24FN3O and a molecular weight of 353.44 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1',5-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1',5-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
PubChem CID23827573
Molecular FormulaC21H24FN3O
Molecular Weight353.44 g/mol
Exact Mass353.19
IUPAC NameN-(4-fluorophenyl)-1',5-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCc1ccc2c(c1)C1(CCN(C)CC1)CN2C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C21H24FN3O/c1-15-3-8-19-18(13-15)21(9-11-24(2)12-10-21)14-25(19)20(26)23-17-6-4-16(22)5-7-17/h3-8,13H,9-12,14H2,1-2H3,(H,23,26)
InChIKeyPZEXKNIDPMJQET-UHFFFAOYSA-N
XLogP4.15
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1',5-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1',5-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide (CID 23827573) is N-(4-fluorophenyl)-1',5-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1',5-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1',5-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide is Cc1ccc2c(c1)C1(CCN(C)CC1)CN2C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-1',5-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The InChIKey is PZEXKNIDPMJQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O/c1-15-3-8-19-18(13-15)21(9-11-24(2)12-10-21)14-25(19)20(26)23-17-6-4-16(22)5-7-17/h3-8,13H,9-12,14H2,1-2H3,(H,23,26).
What are the key properties of N-(4-fluorophenyl)-1',5-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
N-(4-fluorophenyl)-1',5-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide has a molecular weight of 353.44 g/mol, XLogP of 4.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1',5-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 23827573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).