cyclobutane;(2,6-difluorophenyl)-(1'-ethyl-6-methylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone

C26H32F2N2O — CID 143399412

IUPACcyclobutane;(2,6-difluorophenyl)-(1'-ethyl-6-methylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone
SMILESC1CCC1.CCN1CCC2(CC1)CN(C(=O)c1c(F)cccc1F)c1cc(C)ccc12
InChIInChI=1S/C22H24F2N2O.C4H8/c1-3-25-11-9-22(10-12-25)14-26(19-13-15(2)7-8-16(19)22)21(27)20-17(23)5-4-6-18(20)24;1-2-4-3-1/h4-8,13H,3,9-12,14H2,1-2H3;1-4H2
InChIKeyVXWMBSWFVPQPAU-UHFFFAOYSA-N
MW426.55 g/mol
LogP5.85
Rot. Bonds2

About cyclobutane;(2,6-difluorophenyl)-(1'-ethyl-6-methylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone

cyclobutane;(2,6-difluorophenyl)-(1'-ethyl-6-methylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone (PubChem CID 143399412) has the molecular formula C26H32F2N2O and a molecular weight of 426.55 g/mol. Its IUPAC name is cyclobutane;(2,6-difluorophenyl)-(1'-ethyl-6-methylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone.

Molecular Properties

Compound Namecyclobutane;(2,6-difluorophenyl)-(1'-ethyl-6-methylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone
PubChem CID143399412
Molecular FormulaC26H32F2N2O
Molecular Weight426.55 g/mol
Exact Mass426.25
IUPAC Namecyclobutane;(2,6-difluorophenyl)-(1'-ethyl-6-methylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone
SMILESC1CCC1.CCN1CCC2(CC1)CN(C(=O)c1c(F)cccc1F)c1cc(C)ccc12
InChIInChI=1S/C22H24F2N2O.C4H8/c1-3-25-11-9-22(10-12-25)14-26(19-13-15(2)7-8-16(19)22)21(27)20-17(23)5-4-6-18(20)24;1-2-4-3-1/h4-8,13H,3,9-12,14H2,1-2H3;1-4H2
InChIKeyVXWMBSWFVPQPAU-UHFFFAOYSA-N
XLogP5.85
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.55
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1'-(cyclobutylmethyl)-6-methylspiro[2H-indole-3,4'-piperidine]-1-yl]-(2,6-difluorophenyl)methanone
CID 59003989
(5-chloro-1'-ethylspiro[2H-indole-3,4'-azepane]-1-yl)-(2,6-difluorophenyl)methanone
CID 143399563
ethyl 2-[5-chloro-1-(2,6-difluorobenzoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]acetate
CID 59003951
1'-ethyl-N-(4-fluorophenyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23798613
(2,6-difluorophenyl)-[1'-(2,2,3,3,3-pentafluoropropyl)-5-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1-yl]methanone
CID 15983292
(2,6-difluorophenyl)-(5-methoxy-7-methyl-1'-propylspiro[2H-indole-3,4'-azepane]-1-yl)methanone;ethene
CID 143074214
(5-chloro-1'-hex-5-enylspiro[2H-indole-3,4'-piperidine]-1-yl)-(2,6-difluorophenyl)methanone
CID 59003988
(3-bromophenyl)-[5-methyl-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone
CID 23767030
(4-tert-butylphenyl)-[5-fluoro-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone
CID 23989041
[5-fluoro-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-naphthalen-2-ylmethanone
CID 23937588
1-[5-chloro-1-(2,3-difluorobenzoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]butan-2-one
CID 59003991
(2-bromo-6-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 113250757

Frequently Asked Questions

What is the IUPAC name of cyclobutane;(2,6-difluorophenyl)-(1'-ethyl-6-methylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone?
The IUPAC name of cyclobutane;(2,6-difluorophenyl)-(1'-ethyl-6-methylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone (CID 143399412) is cyclobutane;(2,6-difluorophenyl)-(1'-ethyl-6-methylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone.
What is the SMILES notation for cyclobutane;(2,6-difluorophenyl)-(1'-ethyl-6-methylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone?
The canonical SMILES for cyclobutane;(2,6-difluorophenyl)-(1'-ethyl-6-methylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone is C1CCC1.CCN1CCC2(CC1)CN(C(=O)c1c(F)cccc1F)c1cc(C)ccc12.
What is the InChIKey of cyclobutane;(2,6-difluorophenyl)-(1'-ethyl-6-methylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone?
The InChIKey is VXWMBSWFVPQPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O.C4H8/c1-3-25-11-9-22(10-12-25)14-26(19-13-15(2)7-8-16(19)22)21(27)20-17(23)5-4-6-18(20)24;1-2-4-3-1/h4-8,13H,3,9-12,14H2,1-2H3;1-4H2.
What are the key properties of cyclobutane;(2,6-difluorophenyl)-(1'-ethyl-6-methylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone?
cyclobutane;(2,6-difluorophenyl)-(1'-ethyl-6-methylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone has a molecular weight of 426.55 g/mol, XLogP of 5.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane;(2,6-difluorophenyl)-(1'-ethyl-6-methylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone is sourced from PubChem (CID 143399412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).