[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[2-(trifluoromethyl)phenyl]methanone

C23H23F3N2O — CID 170857353

IUPAC[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESCN1CCCCC1Cn1cc(C(=O)c2ccccc2C(F)(F)F)c2ccccc21
InChIInChI=1S/C23H23F3N2O/c1-27-13-7-6-8-16(27)14-28-15-19(17-9-3-5-12-21(17)28)22(29)18-10-2-4-11-20(18)23(24,25)26/h2-5,9-12,15-16H,6-8,13-14H2,1H3
InChIKeyFLGUYZPOEGJZLT-UHFFFAOYSA-N
MW400.44 g/mol
LogP5.38
Rot. Bonds4

About [1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[2-(trifluoromethyl)phenyl]methanone

[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 170857353) has the molecular formula C23H23F3N2O and a molecular weight of 400.44 g/mol. Its IUPAC name is [1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[2-(trifluoromethyl)phenyl]methanone
PubChem CID170857353
Molecular FormulaC23H23F3N2O
Molecular Weight400.44 g/mol
Exact Mass400.18
IUPAC Name[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESCN1CCCCC1Cn1cc(C(=O)c2ccccc2C(F)(F)F)c2ccccc21
InChIInChI=1S/C23H23F3N2O/c1-27-13-7-6-8-16(27)14-28-15-19(17-9-3-5-12-21(17)28)22(29)18-10-2-4-11-20(18)23(24,25)26/h2-5,9-12,15-16H,6-8,13-14H2,1H3
InChIKeyFLGUYZPOEGJZLT-UHFFFAOYSA-N
XLogP5.38
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.44
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[2-(trifluoromethyl)phenyl]methanone (CID 170857353) is [1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[2-(trifluoromethyl)phenyl]methanone is CN1CCCCC1Cn1cc(C(=O)c2ccccc2C(F)(F)F)c2ccccc21.
What is the InChIKey of [1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is FLGUYZPOEGJZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2O/c1-27-13-7-6-8-16(27)14-28-15-19(17-9-3-5-12-21(17)28)22(29)18-10-2-4-11-20(18)23(24,25)26/h2-5,9-12,15-16H,6-8,13-14H2,1H3.
What are the key properties of [1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[2-(trifluoromethyl)phenyl]methanone?
[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 400.44 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 170857353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).