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

C23H30FN3O4 — CID 11997971

IUPAC1-[[4-[[(6-fluoro-3,3-dimethyl-2-oxoindole-1-carbonyl)amino]methyl]piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid
SMILESCC1(C)C(=O)N(C(=O)NCC2CCN(CC3(C(=O)O)CCC3)CC2)c2cc(F)ccc21
InChIInChI=1S/C23H30FN3O4/c1-22(2)17-5-4-16(24)12-18(17)27(19(22)28)21(31)25-13-15-6-10-26(11-7-15)14-23(20(29)30)8-3-9-23/h4-5,12,15H,3,6-11,13-14H2,1-2H3,(H,25,31)(H,29,30)
InChIKeyCGIVFRPMHAOFRL-UHFFFAOYSA-N
MW431.51 g/mol
LogP3.13
Rot. Bonds5

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

1-[[4-[[(6-fluoro-3,3-dimethyl-2-oxoindole-1-carbonyl)amino]methyl]piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid (PubChem CID 11997971) has the molecular formula C23H30FN3O4 and a molecular weight of 431.51 g/mol. Its IUPAC name is 1-[[4-[[(6-fluoro-3,3-dimethyl-2-oxoindole-1-carbonyl)amino]methyl]piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[4-[[(6-fluoro-3,3-dimethyl-2-oxoindole-1-carbonyl)amino]methyl]piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid
PubChem CID11997971
Molecular FormulaC23H30FN3O4
Molecular Weight431.51 g/mol
Exact Mass431.22
IUPAC Name1-[[4-[[(6-fluoro-3,3-dimethyl-2-oxoindole-1-carbonyl)amino]methyl]piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid
SMILESCC1(C)C(=O)N(C(=O)NCC2CCN(CC3(C(=O)O)CCC3)CC2)c2cc(F)ccc21
InChIInChI=1S/C23H30FN3O4/c1-22(2)17-5-4-16(24)12-18(17)27(19(22)28)21(31)25-13-15-6-10-26(11-7-15)14-23(20(29)30)8-3-9-23/h4-5,12,15H,3,6-11,13-14H2,1-2H3,(H,25,31)(H,29,30)
InChIKeyCGIVFRPMHAOFRL-UHFFFAOYSA-N
XLogP3.13
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[[(6-fluoro-3,3-dimethyl-2-oxoindole-1-carbonyl)amino]methyl]piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[4-[[(6-fluoro-3,3-dimethyl-2-oxoindole-1-carbonyl)amino]methyl]piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid (CID 11997971) is 1-[[4-[[(6-fluoro-3,3-dimethyl-2-oxoindole-1-carbonyl)amino]methyl]piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[4-[[(6-fluoro-3,3-dimethyl-2-oxoindole-1-carbonyl)amino]methyl]piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[4-[[(6-fluoro-3,3-dimethyl-2-oxoindole-1-carbonyl)amino]methyl]piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid is CC1(C)C(=O)N(C(=O)NCC2CCN(CC3(C(=O)O)CCC3)CC2)c2cc(F)ccc21.
What is the InChIKey of 1-[[4-[[(6-fluoro-3,3-dimethyl-2-oxoindole-1-carbonyl)amino]methyl]piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is CGIVFRPMHAOFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O4/c1-22(2)17-5-4-16(24)12-18(17)27(19(22)28)21(31)25-13-15-6-10-26(11-7-15)14-23(20(29)30)8-3-9-23/h4-5,12,15H,3,6-11,13-14H2,1-2H3,(H,25,31)(H,29,30).
What are the key properties of 1-[[4-[[(6-fluoro-3,3-dimethyl-2-oxoindole-1-carbonyl)amino]methyl]piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid?
1-[[4-[[(6-fluoro-3,3-dimethyl-2-oxoindole-1-carbonyl)amino]methyl]piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 431.51 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[[(6-fluoro-3,3-dimethyl-2-oxoindole-1-carbonyl)amino]methyl]piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 11997971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).