(2-fluoro-6-methylphenyl)-(1-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone

C26H25FN2O — CID 155879689

IUPAC(2-fluoro-6-methylphenyl)-(1-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone
SMILESCc1cccc(F)c1C(=O)N1CCC2(CC1)CN(c1ccccc1)c1ccccc12
InChIInChI=1S/C26H25FN2O/c1-19-8-7-12-22(27)24(19)25(30)28-16-14-26(15-17-28)18-29(20-9-3-2-4-10-20)23-13-6-5-11-21(23)26/h2-13H,14-18H2,1H3
InChIKeyVPOZQMRMZQXZRM-UHFFFAOYSA-N
MW400.50 g/mol
LogP5.46
Rot. Bonds2

About (2-fluoro-6-methylphenyl)-(1-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone

(2-fluoro-6-methylphenyl)-(1-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone (PubChem CID 155879689) has the molecular formula C26H25FN2O and a molecular weight of 400.50 g/mol. Its IUPAC name is (2-fluoro-6-methylphenyl)-(1-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-6-methylphenyl)-(1-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone
PubChem CID155879689
Molecular FormulaC26H25FN2O
Molecular Weight400.50 g/mol
Exact Mass400.20
IUPAC Name(2-fluoro-6-methylphenyl)-(1-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone
SMILESCc1cccc(F)c1C(=O)N1CCC2(CC1)CN(c1ccccc1)c1ccccc12
InChIInChI=1S/C26H25FN2O/c1-19-8-7-12-22(27)24(19)25(30)28-16-14-26(15-17-28)18-29(20-9-3-2-4-10-20)23-13-6-5-11-21(23)26/h2-13H,14-18H2,1H3
InChIKeyVPOZQMRMZQXZRM-UHFFFAOYSA-N
XLogP5.46
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.50
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-methylfuran-2-yl)-(1-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone
CID 155874195
(5-methoxypyrimidin-2-yl)-(1-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone
CID 155870777
(2-fluoro-6-methylphenyl)-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)methanone
CID 131684380
(2,6-difluorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80707647
1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid
CID 91562420
(2-bromo-6-fluorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 113257009
2-fluoro-6-methylbenzoic acid
CID 13478132
2-[4-(2,3-dimethylphenyl)-4-hydroxypiperidin-1-yl]-6-fluorobenzamide
CID 136569036
1-(2-bromo-6-fluorobenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 115910022
1'-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylic acid
CID 175853428
4-(2,6-difluoro-3-methylbenzoyl)-1-phenylpiperazin-2-one
CID 70755852
(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(2,6-difluorophenyl)methanone
CID 131703355

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-6-methylphenyl)-(1-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone?
The IUPAC name of (2-fluoro-6-methylphenyl)-(1-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone (CID 155879689) is (2-fluoro-6-methylphenyl)-(1-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for (2-fluoro-6-methylphenyl)-(1-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for (2-fluoro-6-methylphenyl)-(1-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone is Cc1cccc(F)c1C(=O)N1CCC2(CC1)CN(c1ccccc1)c1ccccc12.
What is the InChIKey of (2-fluoro-6-methylphenyl)-(1-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone?
The InChIKey is VPOZQMRMZQXZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN2O/c1-19-8-7-12-22(27)24(19)25(30)28-16-14-26(15-17-28)18-29(20-9-3-2-4-10-20)23-13-6-5-11-21(23)26/h2-13H,14-18H2,1H3.
What are the key properties of (2-fluoro-6-methylphenyl)-(1-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone?
(2-fluoro-6-methylphenyl)-(1-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone has a molecular weight of 400.50 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-6-methylphenyl)-(1-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 155879689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).