[5,7-difluoro-2-methyl-3-[2-(2-methylpiperidin-1-yl)ethyl]indol-1-yl]-phenylmethanone

C24H26F2N2O — CID 21313338

IUPAC[5,7-difluoro-2-methyl-3-[2-(2-methylpiperidin-1-yl)ethyl]indol-1-yl]-phenylmethanone
SMILESCc1c(CCN2CCCCC2C)c2cc(F)cc(F)c2n1C(=O)c1ccccc1
InChIInChI=1S/C24H26F2N2O/c1-16-8-6-7-12-27(16)13-11-20-17(2)28(24(29)18-9-4-3-5-10-18)23-21(20)14-19(25)15-22(23)26/h3-5,9-10,14-16H,6-8,11-13H2,1-2H3
InChIKeyGGUYTQWELPCSHI-UHFFFAOYSA-N
MW396.48 g/mol
LogP5.33
Rot. Bonds4

About [5,7-difluoro-2-methyl-3-[2-(2-methylpiperidin-1-yl)ethyl]indol-1-yl]-phenylmethanone

[5,7-difluoro-2-methyl-3-[2-(2-methylpiperidin-1-yl)ethyl]indol-1-yl]-phenylmethanone (PubChem CID 21313338) has the molecular formula C24H26F2N2O and a molecular weight of 396.48 g/mol. Its IUPAC name is [5,7-difluoro-2-methyl-3-[2-(2-methylpiperidin-1-yl)ethyl]indol-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[5,7-difluoro-2-methyl-3-[2-(2-methylpiperidin-1-yl)ethyl]indol-1-yl]-phenylmethanone
PubChem CID21313338
Molecular FormulaC24H26F2N2O
Molecular Weight396.48 g/mol
Exact Mass396.20
IUPAC Name[5,7-difluoro-2-methyl-3-[2-(2-methylpiperidin-1-yl)ethyl]indol-1-yl]-phenylmethanone
SMILESCc1c(CCN2CCCCC2C)c2cc(F)cc(F)c2n1C(=O)c1ccccc1
InChIInChI=1S/C24H26F2N2O/c1-16-8-6-7-12-27(16)13-11-20-17(2)28(24(29)18-9-4-3-5-10-18)23-21(20)14-19(25)15-22(23)26/h3-5,9-10,14-16H,6-8,11-13H2,1-2H3
InChIKeyGGUYTQWELPCSHI-UHFFFAOYSA-N
XLogP5.33
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.48
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[2-[2-(3-cyclohexylpropyl)piperidin-1-yl]ethyl]-5-methoxy-2-methylindol-1-yl]-phenylmethanone
CID 21313321
1-[2-(2,5-difluorophenyl)ethyl]-2-methylpiperidine
CID 155721139
1-(3-methylphenyl)-3-(2-methylpiperidin-1-yl)propan-1-one
CID 62629678
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
3-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenyl-1H-indole
CID 3054786
N-[2-[3-(2-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide
CID 85018800
[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone
CID 2532732
4-[2-(2-methylpyrrolidin-1-yl)ethyl]benzoic acid
CID 79680062
1-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 2422526
1-(4-chlorophenyl)-3-(2-methylpiperidin-1-yl)propan-1-one
CID 62617497
1-(2-fluorophenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 5149362
2-(4-benzoylpiperazin-1-yl)-1-[2-fluoro-4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]ethanone
CID 66847388

Frequently Asked Questions

What is the IUPAC name of [5,7-difluoro-2-methyl-3-[2-(2-methylpiperidin-1-yl)ethyl]indol-1-yl]-phenylmethanone?
The IUPAC name of [5,7-difluoro-2-methyl-3-[2-(2-methylpiperidin-1-yl)ethyl]indol-1-yl]-phenylmethanone (CID 21313338) is [5,7-difluoro-2-methyl-3-[2-(2-methylpiperidin-1-yl)ethyl]indol-1-yl]-phenylmethanone.
What is the SMILES notation for [5,7-difluoro-2-methyl-3-[2-(2-methylpiperidin-1-yl)ethyl]indol-1-yl]-phenylmethanone?
The canonical SMILES for [5,7-difluoro-2-methyl-3-[2-(2-methylpiperidin-1-yl)ethyl]indol-1-yl]-phenylmethanone is Cc1c(CCN2CCCCC2C)c2cc(F)cc(F)c2n1C(=O)c1ccccc1.
What is the InChIKey of [5,7-difluoro-2-methyl-3-[2-(2-methylpiperidin-1-yl)ethyl]indol-1-yl]-phenylmethanone?
The InChIKey is GGUYTQWELPCSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N2O/c1-16-8-6-7-12-27(16)13-11-20-17(2)28(24(29)18-9-4-3-5-10-18)23-21(20)14-19(25)15-22(23)26/h3-5,9-10,14-16H,6-8,11-13H2,1-2H3.
What are the key properties of [5,7-difluoro-2-methyl-3-[2-(2-methylpiperidin-1-yl)ethyl]indol-1-yl]-phenylmethanone?
[5,7-difluoro-2-methyl-3-[2-(2-methylpiperidin-1-yl)ethyl]indol-1-yl]-phenylmethanone has a molecular weight of 396.48 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5,7-difluoro-2-methyl-3-[2-(2-methylpiperidin-1-yl)ethyl]indol-1-yl]-phenylmethanone is sourced from PubChem (CID 21313338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).