3-[4-fluoro-4-[[(6-fluoro-3,3-dimethyl-2-oxoindole-1-carbonyl)amino]methyl]piperidin-1-yl]-2,2-dimethylpropanoic acid

C22H29F2N3O4 — CID 11995889

IUPAC3-[4-fluoro-4-[[(6-fluoro-3,3-dimethyl-2-oxoindole-1-carbonyl)amino]methyl]piperidin-1-yl]-2,2-dimethylpropanoic acid
SMILESCC(C)(CN1CCC(F)(CNC(=O)N2C(=O)C(C)(C)c3ccc(F)cc32)CC1)C(=O)O
InChIInChI=1S/C22H29F2N3O4/c1-20(2,18(29)30)13-26-9-7-22(24,8-10-26)12-25-19(31)27-16-11-14(23)5-6-15(16)21(3,4)17(27)28/h5-6,11H,7-10,12-13H2,1-4H3,(H,25,31)(H,29,30)
InChIKeyGNWLROHPDHNUQD-UHFFFAOYSA-N
MW437.49 g/mol
LogP3.07
Rot. Bonds5

About 3-[4-fluoro-4-[[(6-fluoro-3,3-dimethyl-2-oxoindole-1-carbonyl)amino]methyl]piperidin-1-yl]-2,2-dimethylpropanoic acid

3-[4-fluoro-4-[[(6-fluoro-3,3-dimethyl-2-oxoindole-1-carbonyl)amino]methyl]piperidin-1-yl]-2,2-dimethylpropanoic acid (PubChem CID 11995889) has the molecular formula C22H29F2N3O4 and a molecular weight of 437.49 g/mol. Its IUPAC name is 3-[4-fluoro-4-[[(6-fluoro-3,3-dimethyl-2-oxoindole-1-carbonyl)amino]methyl]piperidin-1-yl]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[4-fluoro-4-[[(6-fluoro-3,3-dimethyl-2-oxoindole-1-carbonyl)amino]methyl]piperidin-1-yl]-2,2-dimethylpropanoic acid
PubChem CID11995889
Molecular FormulaC22H29F2N3O4
Molecular Weight437.49 g/mol
Exact Mass437.21
IUPAC Name3-[4-fluoro-4-[[(6-fluoro-3,3-dimethyl-2-oxoindole-1-carbonyl)amino]methyl]piperidin-1-yl]-2,2-dimethylpropanoic acid
SMILESCC(C)(CN1CCC(F)(CNC(=O)N2C(=O)C(C)(C)c3ccc(F)cc32)CC1)C(=O)O
InChIInChI=1S/C22H29F2N3O4/c1-20(2,18(29)30)13-26-9-7-22(24,8-10-26)12-25-19(31)27-16-11-14(23)5-6-15(16)21(3,4)17(27)28/h5-6,11H,7-10,12-13H2,1-4H3,(H,25,31)(H,29,30)
InChIKeyGNWLROHPDHNUQD-UHFFFAOYSA-N
XLogP3.07
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-fluoro-4-[[(6-fluoro-3,3-dimethyl-2-oxoindole-1-carbonyl)amino]methyl]piperidin-1-yl]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[4-fluoro-4-[[(6-fluoro-3,3-dimethyl-2-oxoindole-1-carbonyl)amino]methyl]piperidin-1-yl]-2,2-dimethylpropanoic acid (CID 11995889) is 3-[4-fluoro-4-[[(6-fluoro-3,3-dimethyl-2-oxoindole-1-carbonyl)amino]methyl]piperidin-1-yl]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[4-fluoro-4-[[(6-fluoro-3,3-dimethyl-2-oxoindole-1-carbonyl)amino]methyl]piperidin-1-yl]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[4-fluoro-4-[[(6-fluoro-3,3-dimethyl-2-oxoindole-1-carbonyl)amino]methyl]piperidin-1-yl]-2,2-dimethylpropanoic acid is CC(C)(CN1CCC(F)(CNC(=O)N2C(=O)C(C)(C)c3ccc(F)cc32)CC1)C(=O)O.
What is the InChIKey of 3-[4-fluoro-4-[[(6-fluoro-3,3-dimethyl-2-oxoindole-1-carbonyl)amino]methyl]piperidin-1-yl]-2,2-dimethylpropanoic acid?
The InChIKey is GNWLROHPDHNUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F2N3O4/c1-20(2,18(29)30)13-26-9-7-22(24,8-10-26)12-25-19(31)27-16-11-14(23)5-6-15(16)21(3,4)17(27)28/h5-6,11H,7-10,12-13H2,1-4H3,(H,25,31)(H,29,30).
What are the key properties of 3-[4-fluoro-4-[[(6-fluoro-3,3-dimethyl-2-oxoindole-1-carbonyl)amino]methyl]piperidin-1-yl]-2,2-dimethylpropanoic acid?
3-[4-fluoro-4-[[(6-fluoro-3,3-dimethyl-2-oxoindole-1-carbonyl)amino]methyl]piperidin-1-yl]-2,2-dimethylpropanoic acid has a molecular weight of 437.49 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-fluoro-4-[[(6-fluoro-3,3-dimethyl-2-oxoindole-1-carbonyl)amino]methyl]piperidin-1-yl]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 11995889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).