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

C25H28F2N2O — CID 59003989

IUPAC[1'-(cyclobutylmethyl)-6-methylspiro[2H-indole-3,4'-piperidine]-1-yl]-(2,6-difluorophenyl)methanone
SMILESCc1ccc2c(c1)N(C(=O)c1c(F)cccc1F)CC21CCN(CC2CCC2)CC1
InChIInChI=1S/C25H28F2N2O/c1-17-8-9-19-22(14-17)29(24(30)23-20(26)6-3-7-21(23)27)16-25(19)10-12-28(13-11-25)15-18-4-2-5-18/h3,6-9,14,18H,2,4-5,10-13,15-16H2,1H3
InChIKeyFHVXTSFARNMHHN-UHFFFAOYSA-N
MW410.51 g/mol
LogP5.07
Rot. Bonds3

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

[1'-(cyclobutylmethyl)-6-methylspiro[2H-indole-3,4'-piperidine]-1-yl]-(2,6-difluorophenyl)methanone (PubChem CID 59003989) has the molecular formula C25H28F2N2O and a molecular weight of 410.51 g/mol. Its IUPAC name is [1'-(cyclobutylmethyl)-6-methylspiro[2H-indole-3,4'-piperidine]-1-yl]-(2,6-difluorophenyl)methanone.

Molecular Properties

Compound Name[1'-(cyclobutylmethyl)-6-methylspiro[2H-indole-3,4'-piperidine]-1-yl]-(2,6-difluorophenyl)methanone
PubChem CID59003989
Molecular FormulaC25H28F2N2O
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name[1'-(cyclobutylmethyl)-6-methylspiro[2H-indole-3,4'-piperidine]-1-yl]-(2,6-difluorophenyl)methanone
SMILESCc1ccc2c(c1)N(C(=O)c1c(F)cccc1F)CC21CCN(CC2CCC2)CC1
InChIInChI=1S/C25H28F2N2O/c1-17-8-9-19-22(14-17)29(24(30)23-20(26)6-3-7-21(23)27)16-25(19)10-12-28(13-11-25)15-18-4-2-5-18/h3,6-9,14,18H,2,4-5,10-13,15-16H2,1H3
InChIKeyFHVXTSFARNMHHN-UHFFFAOYSA-N
XLogP5.07
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.51
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1'-(cyclobutylmethyl)-6-methylspiro[2H-indole-3,4'-piperidine]-1-yl]-(2,6-difluorophenyl)methanone?
The IUPAC name of [1'-(cyclobutylmethyl)-6-methylspiro[2H-indole-3,4'-piperidine]-1-yl]-(2,6-difluorophenyl)methanone (CID 59003989) is [1'-(cyclobutylmethyl)-6-methylspiro[2H-indole-3,4'-piperidine]-1-yl]-(2,6-difluorophenyl)methanone.
What is the SMILES notation for [1'-(cyclobutylmethyl)-6-methylspiro[2H-indole-3,4'-piperidine]-1-yl]-(2,6-difluorophenyl)methanone?
The canonical SMILES for [1'-(cyclobutylmethyl)-6-methylspiro[2H-indole-3,4'-piperidine]-1-yl]-(2,6-difluorophenyl)methanone is Cc1ccc2c(c1)N(C(=O)c1c(F)cccc1F)CC21CCN(CC2CCC2)CC1.
What is the InChIKey of [1'-(cyclobutylmethyl)-6-methylspiro[2H-indole-3,4'-piperidine]-1-yl]-(2,6-difluorophenyl)methanone?
The InChIKey is FHVXTSFARNMHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N2O/c1-17-8-9-19-22(14-17)29(24(30)23-20(26)6-3-7-21(23)27)16-25(19)10-12-28(13-11-25)15-18-4-2-5-18/h3,6-9,14,18H,2,4-5,10-13,15-16H2,1H3.
What are the key properties of [1'-(cyclobutylmethyl)-6-methylspiro[2H-indole-3,4'-piperidine]-1-yl]-(2,6-difluorophenyl)methanone?
[1'-(cyclobutylmethyl)-6-methylspiro[2H-indole-3,4'-piperidine]-1-yl]-(2,6-difluorophenyl)methanone has a molecular weight of 410.51 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1'-(cyclobutylmethyl)-6-methylspiro[2H-indole-3,4'-piperidine]-1-yl]-(2,6-difluorophenyl)methanone is sourced from PubChem (CID 59003989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).