2,2,2-trifluoro-1-[7-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]ethanone

C19H23F3N2O — CID 67255523

IUPAC2,2,2-trifluoro-1-[7-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]ethanone
SMILESCc1cccc2c(C(=O)C(F)(F)F)cn(CCC3CCCCN3C)c12
InChIInChI=1S/C19H23F3N2O/c1-13-6-5-8-15-16(18(25)19(20,21)22)12-24(17(13)15)11-9-14-7-3-4-10-23(14)2/h5-6,8,12,14H,3-4,7,9-11H2,1-2H3
InChIKeyGATBDKIGDNMUIT-UHFFFAOYSA-N
MW352.40 g/mol
LogP4.57
Rot. Bonds4

About 2,2,2-trifluoro-1-[7-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]ethanone

2,2,2-trifluoro-1-[7-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]ethanone (PubChem CID 67255523) has the molecular formula C19H23F3N2O and a molecular weight of 352.40 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[7-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[7-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]ethanone
PubChem CID67255523
Molecular FormulaC19H23F3N2O
Molecular Weight352.40 g/mol
Exact Mass352.18
IUPAC Name2,2,2-trifluoro-1-[7-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]ethanone
SMILESCc1cccc2c(C(=O)C(F)(F)F)cn(CCC3CCCCN3C)c12
InChIInChI=1S/C19H23F3N2O/c1-13-6-5-8-15-16(18(25)19(20,21)22)12-24(17(13)15)11-9-14-7-3-4-10-23(14)2/h5-6,8,12,14H,3-4,7,9-11H2,1-2H3
InChIKeyGATBDKIGDNMUIT-UHFFFAOYSA-N
XLogP4.57
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[7-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[7-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]ethanone (CID 67255523) is 2,2,2-trifluoro-1-[7-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[7-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[7-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]ethanone is Cc1cccc2c(C(=O)C(F)(F)F)cn(CCC3CCCCN3C)c12.
What is the InChIKey of 2,2,2-trifluoro-1-[7-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]ethanone?
The InChIKey is GATBDKIGDNMUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O/c1-13-6-5-8-15-16(18(25)19(20,21)22)12-24(17(13)15)11-9-14-7-3-4-10-23(14)2/h5-6,8,12,14H,3-4,7,9-11H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-1-[7-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]ethanone?
2,2,2-trifluoro-1-[7-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]ethanone has a molecular weight of 352.40 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[7-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]ethanone is sourced from PubChem (CID 67255523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).