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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Related Compounds

5-fluoro-N-(3-fluorophenyl)-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23856682
N-(4-fluorophenyl)-1',5-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23827573
2-[6-(3-cyanophenyl)-1'-methylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]-N-(3,5-dichlorophenyl)acetamide
CID 11756387
1'-[(4-cyanophenyl)methyl]-N-(2,6-dimethylphenyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23820634
3-[4-[4-(3-cyanophenyl)phenyl]piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide
CID 20608990
N-(2,3-dichlorophenyl)-5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23764412
1-(3-chloro-4-fluorophenyl)-3-[2-[4-(3-cyanophenyl)phenyl]-2-(1-methylpiperidin-4-yl)ethyl]urea
CID 20792865
3-[4-(4-amino-1-methylpiperidin-4-yl)phenyl]benzonitrile
CID 142248145
1-[4-(3-cyanophenyl)phenyl]-3-[3-fluoro-4-(trifluoromethyl)phenyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]urea
CID 11260997
[2-[4-(3-cyanophenyl)phenyl]-2-(1-methylpiperidin-4-yl)ethyl] N-[4-fluoro-3-(trifluoromethyl)phenyl]carbamate
CID 20792830
4-(3-cyanophenyl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide
CID 113114880
1'-(cyclopropylmethyl)-5-fluoro-N-(3-methoxyphenyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 59004167

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).