6-(3-cyanophenyl)-N-(4-fluoro-3-methylphenyl)-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide

C28H27FN4O — CID 142179808

IUPAC6-(3-cyanophenyl)-N-(4-fluoro-3-methylphenyl)-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCc1cc(NC(=O)N2CC3(CCN(C)CC3)c3ccc(-c4cccc(C#N)c4)cc32)ccc1F
InChIInChI=1S/C28H27FN4O/c1-19-14-23(7-9-25(19)29)31-27(34)33-18-28(10-12-32(2)13-11-28)24-8-6-22(16-26(24)33)21-5-3-4-20(15-21)17-30/h3-9,14-16H,10-13,18H2,1-2H3,(H,31,34)
InChIKeyUETONJSFRFHJNY-UHFFFAOYSA-N
MW454.55 g/mol
LogP5.69
Rot. Bonds2

About 6-(3-cyanophenyl)-N-(4-fluoro-3-methylphenyl)-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide

6-(3-cyanophenyl)-N-(4-fluoro-3-methylphenyl)-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide (PubChem CID 142179808) has the molecular formula C28H27FN4O and a molecular weight of 454.55 g/mol. Its IUPAC name is 6-(3-cyanophenyl)-N-(4-fluoro-3-methylphenyl)-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound Name6-(3-cyanophenyl)-N-(4-fluoro-3-methylphenyl)-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
PubChem CID142179808
Molecular FormulaC28H27FN4O
Molecular Weight454.55 g/mol
Exact Mass454.22
IUPAC Name6-(3-cyanophenyl)-N-(4-fluoro-3-methylphenyl)-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCc1cc(NC(=O)N2CC3(CCN(C)CC3)c3ccc(-c4cccc(C#N)c4)cc32)ccc1F
InChIInChI=1S/C28H27FN4O/c1-19-14-23(7-9-25(19)29)31-27(34)33-18-28(10-12-32(2)13-11-28)24-8-6-22(16-26(24)33)21-5-3-4-20(15-21)17-30/h3-9,14-16H,10-13,18H2,1-2H3,(H,31,34)
InChIKeyUETONJSFRFHJNY-UHFFFAOYSA-N
XLogP5.69
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.55
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-cyanophenyl)-N-(4-fluoro-3-methylphenyl)-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The IUPAC name of 6-(3-cyanophenyl)-N-(4-fluoro-3-methylphenyl)-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide (CID 142179808) is 6-(3-cyanophenyl)-N-(4-fluoro-3-methylphenyl)-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide.
What is the SMILES notation for 6-(3-cyanophenyl)-N-(4-fluoro-3-methylphenyl)-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for 6-(3-cyanophenyl)-N-(4-fluoro-3-methylphenyl)-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide is Cc1cc(NC(=O)N2CC3(CCN(C)CC3)c3ccc(-c4cccc(C#N)c4)cc32)ccc1F.
What is the InChIKey of 6-(3-cyanophenyl)-N-(4-fluoro-3-methylphenyl)-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The InChIKey is UETONJSFRFHJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN4O/c1-19-14-23(7-9-25(19)29)31-27(34)33-18-28(10-12-32(2)13-11-28)24-8-6-22(16-26(24)33)21-5-3-4-20(15-21)17-30/h3-9,14-16H,10-13,18H2,1-2H3,(H,31,34).
What are the key properties of 6-(3-cyanophenyl)-N-(4-fluoro-3-methylphenyl)-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
6-(3-cyanophenyl)-N-(4-fluoro-3-methylphenyl)-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide has a molecular weight of 454.55 g/mol, XLogP of 5.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyanophenyl)-N-(4-fluoro-3-methylphenyl)-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 142179808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).