1H-indol-6-yl-(3-methylpiperidin-1-yl)methanone;3-methoxy-2-(trifluoromethyl)pyridine

C22H24F3N3O2 — CID 166104926

IUPAC1H-indol-6-yl-(3-methylpiperidin-1-yl)methanone;3-methoxy-2-(trifluoromethyl)pyridine
SMILESCC1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1.COc1cccnc1C(F)(F)F
InChIInChI=1S/C15H18N2O.C7H6F3NO/c1-11-3-2-8-17(10-11)15(18)13-5-4-12-6-7-16-14(12)9-13;1-12-5-3-2-4-11-6(5)7(8,9)10/h4-7,9,11,16H,2-3,8,10H2,1H3;2-4H,1H3
InChIKeyVEOFVPJVIACEPA-UHFFFAOYSA-N
MW419.45 g/mol
LogP5.15
Rot. Bonds2

About 1H-indol-6-yl-(3-methylpiperidin-1-yl)methanone;3-methoxy-2-(trifluoromethyl)pyridine

1H-indol-6-yl-(3-methylpiperidin-1-yl)methanone;3-methoxy-2-(trifluoromethyl)pyridine (PubChem CID 166104926) has the molecular formula C22H24F3N3O2 and a molecular weight of 419.45 g/mol. Its IUPAC name is 1H-indol-6-yl-(3-methylpiperidin-1-yl)methanone;3-methoxy-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name1H-indol-6-yl-(3-methylpiperidin-1-yl)methanone;3-methoxy-2-(trifluoromethyl)pyridine
PubChem CID166104926
Molecular FormulaC22H24F3N3O2
Molecular Weight419.45 g/mol
Exact Mass419.18
IUPAC Name1H-indol-6-yl-(3-methylpiperidin-1-yl)methanone;3-methoxy-2-(trifluoromethyl)pyridine
SMILESCC1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1.COc1cccnc1C(F)(F)F
InChIInChI=1S/C15H18N2O.C7H6F3NO/c1-11-3-2-8-17(10-11)15(18)13-5-4-12-6-7-16-14(12)9-13;1-12-5-3-2-4-11-6(5)7(8,9)10/h4-7,9,11,16H,2-3,8,10H2,1H3;2-4H,1H3
InChIKeyVEOFVPJVIACEPA-UHFFFAOYSA-N
XLogP5.15
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.45
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-indol-6-yl-(3-methylpiperidin-1-yl)methanone;3-methoxy-2-(trifluoromethyl)pyridine?
The IUPAC name of 1H-indol-6-yl-(3-methylpiperidin-1-yl)methanone;3-methoxy-2-(trifluoromethyl)pyridine (CID 166104926) is 1H-indol-6-yl-(3-methylpiperidin-1-yl)methanone;3-methoxy-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 1H-indol-6-yl-(3-methylpiperidin-1-yl)methanone;3-methoxy-2-(trifluoromethyl)pyridine?
The canonical SMILES for 1H-indol-6-yl-(3-methylpiperidin-1-yl)methanone;3-methoxy-2-(trifluoromethyl)pyridine is CC1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1.COc1cccnc1C(F)(F)F.
What is the InChIKey of 1H-indol-6-yl-(3-methylpiperidin-1-yl)methanone;3-methoxy-2-(trifluoromethyl)pyridine?
The InChIKey is VEOFVPJVIACEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O.C7H6F3NO/c1-11-3-2-8-17(10-11)15(18)13-5-4-12-6-7-16-14(12)9-13;1-12-5-3-2-4-11-6(5)7(8,9)10/h4-7,9,11,16H,2-3,8,10H2,1H3;2-4H,1H3.
What are the key properties of 1H-indol-6-yl-(3-methylpiperidin-1-yl)methanone;3-methoxy-2-(trifluoromethyl)pyridine?
1H-indol-6-yl-(3-methylpiperidin-1-yl)methanone;3-methoxy-2-(trifluoromethyl)pyridine has a molecular weight of 419.45 g/mol, XLogP of 5.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-6-yl-(3-methylpiperidin-1-yl)methanone;3-methoxy-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 166104926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).