(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-(2-fluoroethyl)-2-methylindole-3-carboxylate

C20H25FN2O2 — CID 118436771

IUPAC(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-(2-fluoroethyl)-2-methylindole-3-carboxylate
SMILESCc1c(C(=O)OC2CC3CCC(C2)N3C)c2ccccc2n1CCF
InChIInChI=1S/C20H25FN2O2/c1-13-19(17-5-3-4-6-18(17)23(13)10-9-21)20(24)25-16-11-14-7-8-15(12-16)22(14)2/h3-6,14-16H,7-12H2,1-2H3
InChIKeyGIZJENILALHRQF-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.70
Rot. Bonds4

About (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-(2-fluoroethyl)-2-methylindole-3-carboxylate

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-(2-fluoroethyl)-2-methylindole-3-carboxylate (PubChem CID 118436771) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-(2-fluoroethyl)-2-methylindole-3-carboxylate.

Molecular Properties

Compound Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-(2-fluoroethyl)-2-methylindole-3-carboxylate
PubChem CID118436771
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-(2-fluoroethyl)-2-methylindole-3-carboxylate
SMILESCc1c(C(=O)OC2CC3CCC(C2)N3C)c2ccccc2n1CCF
InChIInChI=1S/C20H25FN2O2/c1-13-19(17-5-3-4-6-18(17)23(13)10-9-21)20(24)25-16-11-14-7-8-15(12-16)22(14)2/h3-6,14-16H,7-12H2,1-2H3
InChIKeyGIZJENILALHRQF-UHFFFAOYSA-N
XLogP3.70
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-(2-fluoroethyl)-2-methylindole-3-carboxylate?
The IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-(2-fluoroethyl)-2-methylindole-3-carboxylate (CID 118436771) is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-(2-fluoroethyl)-2-methylindole-3-carboxylate.
What is the SMILES notation for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-(2-fluoroethyl)-2-methylindole-3-carboxylate?
The canonical SMILES for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-(2-fluoroethyl)-2-methylindole-3-carboxylate is Cc1c(C(=O)OC2CC3CCC(C2)N3C)c2ccccc2n1CCF.
What is the InChIKey of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-(2-fluoroethyl)-2-methylindole-3-carboxylate?
The InChIKey is GIZJENILALHRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-13-19(17-5-3-4-6-18(17)23(13)10-9-21)20(24)25-16-11-14-7-8-15(12-16)22(14)2/h3-6,14-16H,7-12H2,1-2H3.
What are the key properties of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-(2-fluoroethyl)-2-methylindole-3-carboxylate?
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-(2-fluoroethyl)-2-methylindole-3-carboxylate has a molecular weight of 344.43 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-(2-fluoroethyl)-2-methylindole-3-carboxylate is sourced from PubChem (CID 118436771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).