[1-[4-(5-fluoro-3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]carbamic acid

C26H30FN3O4 — CID 66616113

IUPAC[1-[4-(5-fluoro-3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]carbamic acid
SMILESCC1(C)C(=O)N(C2CCN(C(=O)C(CCc3ccccc3)NC(=O)O)CC2)c2ccc(F)cc21
InChIInChI=1S/C26H30FN3O4/c1-26(2)20-16-18(27)9-11-22(20)30(24(26)32)19-12-14-29(15-13-19)23(31)21(28-25(33)34)10-8-17-6-4-3-5-7-17/h3-7,9,11,16,19,21,28H,8,10,12-15H2,1-2H3,(H,33,34)
InChIKeyQYIZFILWBZFKCY-UHFFFAOYSA-N
MW467.54 g/mol
LogP3.71
Rot. Bonds6

About [1-[4-(5-fluoro-3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]carbamic acid

[1-[4-(5-fluoro-3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]carbamic acid (PubChem CID 66616113) has the molecular formula C26H30FN3O4 and a molecular weight of 467.54 g/mol. Its IUPAC name is [1-[4-(5-fluoro-3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-[4-(5-fluoro-3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]carbamic acid
PubChem CID66616113
Molecular FormulaC26H30FN3O4
Molecular Weight467.54 g/mol
Exact Mass467.22
IUPAC Name[1-[4-(5-fluoro-3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]carbamic acid
SMILESCC1(C)C(=O)N(C2CCN(C(=O)C(CCc3ccccc3)NC(=O)O)CC2)c2ccc(F)cc21
InChIInChI=1S/C26H30FN3O4/c1-26(2)20-16-18(27)9-11-22(20)30(24(26)32)19-12-14-29(15-13-19)23(31)21(28-25(33)34)10-8-17-6-4-3-5-7-17/h3-7,9,11,16,19,21,28H,8,10,12-15H2,1-2H3,(H,33,34)
InChIKeyQYIZFILWBZFKCY-UHFFFAOYSA-N
XLogP3.71
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.54
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-[4-(5-fluoro-3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]carbamic 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-(5-fluoro-3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]carbamic acid?
The IUPAC name of [1-[4-(5-fluoro-3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]carbamic acid (CID 66616113) is [1-[4-(5-fluoro-3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]carbamic acid.
What is the SMILES notation for [1-[4-(5-fluoro-3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]carbamic acid?
The canonical SMILES for [1-[4-(5-fluoro-3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]carbamic acid is CC1(C)C(=O)N(C2CCN(C(=O)C(CCc3ccccc3)NC(=O)O)CC2)c2ccc(F)cc21.
What is the InChIKey of [1-[4-(5-fluoro-3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]carbamic acid?
The InChIKey is QYIZFILWBZFKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O4/c1-26(2)20-16-18(27)9-11-22(20)30(24(26)32)19-12-14-29(15-13-19)23(31)21(28-25(33)34)10-8-17-6-4-3-5-7-17/h3-7,9,11,16,19,21,28H,8,10,12-15H2,1-2H3,(H,33,34).
What are the key properties of [1-[4-(5-fluoro-3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]carbamic acid?
[1-[4-(5-fluoro-3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]carbamic acid has a molecular weight of 467.54 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(5-fluoro-3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]carbamic acid is sourced from PubChem (CID 66616113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).