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

C22H30FN3O4 — CID 11997972

IUPAC3-[4-[[(6-fluoro-3,3-dimethyl-2-oxoindole-1-carbonyl)amino]methyl]piperidin-1-yl]-2,2-dimethylpropanoic acid
SMILESCC(C)(CN1CCC(CNC(=O)N2C(=O)C(C)(C)c3ccc(F)cc32)CC1)C(=O)O
InChIInChI=1S/C22H30FN3O4/c1-21(2,19(28)29)13-25-9-7-14(8-10-25)12-24-20(30)26-17-11-15(23)5-6-16(17)22(3,4)18(26)27/h5-6,11,14H,7-10,12-13H2,1-4H3,(H,24,30)(H,28,29)
InChIKeyUYQGTZRRNAZVMQ-UHFFFAOYSA-N
MW419.50 g/mol
LogP2.98
Rot. Bonds5

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

3-[4-[[(6-fluoro-3,3-dimethyl-2-oxoindole-1-carbonyl)amino]methyl]piperidin-1-yl]-2,2-dimethylpropanoic acid (PubChem CID 11997972) has the molecular formula C22H30FN3O4 and a molecular weight of 419.50 g/mol. Its IUPAC name is 3-[4-[[(6-fluoro-3,3-dimethyl-2-oxoindole-1-carbonyl)amino]methyl]piperidin-1-yl]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[4-[[(6-fluoro-3,3-dimethyl-2-oxoindole-1-carbonyl)amino]methyl]piperidin-1-yl]-2,2-dimethylpropanoic acid
PubChem CID11997972
Molecular FormulaC22H30FN3O4
Molecular Weight419.50 g/mol
Exact Mass419.22
IUPAC Name3-[4-[[(6-fluoro-3,3-dimethyl-2-oxoindole-1-carbonyl)amino]methyl]piperidin-1-yl]-2,2-dimethylpropanoic acid
SMILESCC(C)(CN1CCC(CNC(=O)N2C(=O)C(C)(C)c3ccc(F)cc32)CC1)C(=O)O
InChIInChI=1S/C22H30FN3O4/c1-21(2,19(28)29)13-25-9-7-14(8-10-25)12-24-20(30)26-17-11-15(23)5-6-16(17)22(3,4)18(26)27/h5-6,11,14H,7-10,12-13H2,1-4H3,(H,24,30)(H,28,29)
InChIKeyUYQGTZRRNAZVMQ-UHFFFAOYSA-N
XLogP2.98
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

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CID 69265135
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CID 6445502
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CID 12035126
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CID 53177012
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CID 53177202
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CID 97521757
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Frequently Asked Questions

What is the IUPAC name of 3-[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-[[(6-fluoro-3,3-dimethyl-2-oxoindole-1-carbonyl)amino]methyl]piperidin-1-yl]-2,2-dimethylpropanoic acid (CID 11997972) is 3-[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-[[(6-fluoro-3,3-dimethyl-2-oxoindole-1-carbonyl)amino]methyl]piperidin-1-yl]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[4-[[(6-fluoro-3,3-dimethyl-2-oxoindole-1-carbonyl)amino]methyl]piperidin-1-yl]-2,2-dimethylpropanoic acid is CC(C)(CN1CCC(CNC(=O)N2C(=O)C(C)(C)c3ccc(F)cc32)CC1)C(=O)O.
What is the InChIKey of 3-[4-[[(6-fluoro-3,3-dimethyl-2-oxoindole-1-carbonyl)amino]methyl]piperidin-1-yl]-2,2-dimethylpropanoic acid?
The InChIKey is UYQGTZRRNAZVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN3O4/c1-21(2,19(28)29)13-25-9-7-14(8-10-25)12-24-20(30)26-17-11-15(23)5-6-16(17)22(3,4)18(26)27/h5-6,11,14H,7-10,12-13H2,1-4H3,(H,24,30)(H,28,29).
What are the key properties of 3-[4-[[(6-fluoro-3,3-dimethyl-2-oxoindole-1-carbonyl)amino]methyl]piperidin-1-yl]-2,2-dimethylpropanoic acid?
3-[4-[[(6-fluoro-3,3-dimethyl-2-oxoindole-1-carbonyl)amino]methyl]piperidin-1-yl]-2,2-dimethylpropanoic acid has a molecular weight of 419.50 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[(6-fluoro-3,3-dimethyl-2-oxoindole-1-carbonyl)amino]methyl]piperidin-1-yl]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 11997972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).