3-[4-(5-fluoro-6-methyl-2-oxo-3H-indol-1-yl)piperidin-1-yl]-3-methylpyrrolidine-1-carboxylic acid

C20H26FN3O3 — CID 68632791

IUPAC3-[4-(5-fluoro-6-methyl-2-oxo-3H-indol-1-yl)piperidin-1-yl]-3-methylpyrrolidine-1-carboxylic acid
SMILESCc1cc2c(cc1F)CC(=O)N2C1CCN(C2(C)CCN(C(=O)O)C2)CC1
InChIInChI=1S/C20H26FN3O3/c1-13-9-17-14(10-16(13)21)11-18(25)24(17)15-3-6-23(7-4-15)20(2)5-8-22(12-20)19(26)27/h9-10,15H,3-8,11-12H2,1-2H3,(H,26,27)
InChIKeyQXZDYVHRYYPFHG-UHFFFAOYSA-N
MW375.44 g/mol
LogP2.63
Rot. Bonds2

About 3-[4-(5-fluoro-6-methyl-2-oxo-3H-indol-1-yl)piperidin-1-yl]-3-methylpyrrolidine-1-carboxylic acid

3-[4-(5-fluoro-6-methyl-2-oxo-3H-indol-1-yl)piperidin-1-yl]-3-methylpyrrolidine-1-carboxylic acid (PubChem CID 68632791) has the molecular formula C20H26FN3O3 and a molecular weight of 375.44 g/mol. Its IUPAC name is 3-[4-(5-fluoro-6-methyl-2-oxo-3H-indol-1-yl)piperidin-1-yl]-3-methylpyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[4-(5-fluoro-6-methyl-2-oxo-3H-indol-1-yl)piperidin-1-yl]-3-methylpyrrolidine-1-carboxylic acid
PubChem CID68632791
Molecular FormulaC20H26FN3O3
Molecular Weight375.44 g/mol
Exact Mass375.20
IUPAC Name3-[4-(5-fluoro-6-methyl-2-oxo-3H-indol-1-yl)piperidin-1-yl]-3-methylpyrrolidine-1-carboxylic acid
SMILESCc1cc2c(cc1F)CC(=O)N2C1CCN(C2(C)CCN(C(=O)O)C2)CC1
InChIInChI=1S/C20H26FN3O3/c1-13-9-17-14(10-16(13)21)11-18(25)24(17)15-3-6-23(7-4-15)20(2)5-8-22(12-20)19(26)27/h9-10,15H,3-8,11-12H2,1-2H3,(H,26,27)
InChIKeyQXZDYVHRYYPFHG-UHFFFAOYSA-N
XLogP2.63
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-fluoro-6-methyl-2-oxo-3H-indol-1-yl)piperidin-1-yl]-3-methylpyrrolidine-1-carboxylic acid?
The IUPAC name of 3-[4-(5-fluoro-6-methyl-2-oxo-3H-indol-1-yl)piperidin-1-yl]-3-methylpyrrolidine-1-carboxylic acid (CID 68632791) is 3-[4-(5-fluoro-6-methyl-2-oxo-3H-indol-1-yl)piperidin-1-yl]-3-methylpyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-[4-(5-fluoro-6-methyl-2-oxo-3H-indol-1-yl)piperidin-1-yl]-3-methylpyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-[4-(5-fluoro-6-methyl-2-oxo-3H-indol-1-yl)piperidin-1-yl]-3-methylpyrrolidine-1-carboxylic acid is Cc1cc2c(cc1F)CC(=O)N2C1CCN(C2(C)CCN(C(=O)O)C2)CC1.
What is the InChIKey of 3-[4-(5-fluoro-6-methyl-2-oxo-3H-indol-1-yl)piperidin-1-yl]-3-methylpyrrolidine-1-carboxylic acid?
The InChIKey is QXZDYVHRYYPFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O3/c1-13-9-17-14(10-16(13)21)11-18(25)24(17)15-3-6-23(7-4-15)20(2)5-8-22(12-20)19(26)27/h9-10,15H,3-8,11-12H2,1-2H3,(H,26,27).
What are the key properties of 3-[4-(5-fluoro-6-methyl-2-oxo-3H-indol-1-yl)piperidin-1-yl]-3-methylpyrrolidine-1-carboxylic acid?
3-[4-(5-fluoro-6-methyl-2-oxo-3H-indol-1-yl)piperidin-1-yl]-3-methylpyrrolidine-1-carboxylic acid has a molecular weight of 375.44 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-fluoro-6-methyl-2-oxo-3H-indol-1-yl)piperidin-1-yl]-3-methylpyrrolidine-1-carboxylic acid is sourced from PubChem (CID 68632791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).