2-[3-fluoro-1-[1-(1-methyl-2H-acenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide

C29H30FN3O2 — CID 90259426

IUPAC2-[3-fluoro-1-[1-(1-methyl-2H-acenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide
SMILESCNC(=O)CC1(F)C(=O)N(C2CCN(C3(C)Cc4cccc5cccc3c45)CC2)c2ccccc21
InChIInChI=1S/C29H30FN3O2/c1-28(17-20-9-5-7-19-8-6-11-23(28)26(19)20)32-15-13-21(14-16-32)33-24-12-4-3-10-22(24)29(30,27(33)35)18-25(34)31-2/h3-12,21H,13-18H2,1-2H3,(H,31,34)
InChIKeyQYUOSGWILOFDKA-UHFFFAOYSA-N
MW471.58 g/mol
LogP4.42
Rot. Bonds4

About 2-[3-fluoro-1-[1-(1-methyl-2H-acenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide

2-[3-fluoro-1-[1-(1-methyl-2H-acenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide (PubChem CID 90259426) has the molecular formula C29H30FN3O2 and a molecular weight of 471.58 g/mol. Its IUPAC name is 2-[3-fluoro-1-[1-(1-methyl-2H-acenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-fluoro-1-[1-(1-methyl-2H-acenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide
PubChem CID90259426
Molecular FormulaC29H30FN3O2
Molecular Weight471.58 g/mol
Exact Mass471.23
IUPAC Name2-[3-fluoro-1-[1-(1-methyl-2H-acenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide
SMILESCNC(=O)CC1(F)C(=O)N(C2CCN(C3(C)Cc4cccc5cccc3c45)CC2)c2ccccc21
InChIInChI=1S/C29H30FN3O2/c1-28(17-20-9-5-7-19-8-6-11-23(28)26(19)20)32-15-13-21(14-16-32)33-24-12-4-3-10-22(24)29(30,27(33)35)18-25(34)31-2/h3-12,21H,13-18H2,1-2H3,(H,31,34)
InChIKeyQYUOSGWILOFDKA-UHFFFAOYSA-N
XLogP4.42
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-1-[1-(1-methyl-2H-acenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide?
The IUPAC name of 2-[3-fluoro-1-[1-(1-methyl-2H-acenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide (CID 90259426) is 2-[3-fluoro-1-[1-(1-methyl-2H-acenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-[3-fluoro-1-[1-(1-methyl-2H-acenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide?
The canonical SMILES for 2-[3-fluoro-1-[1-(1-methyl-2H-acenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide is CNC(=O)CC1(F)C(=O)N(C2CCN(C3(C)Cc4cccc5cccc3c45)CC2)c2ccccc21.
What is the InChIKey of 2-[3-fluoro-1-[1-(1-methyl-2H-acenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide?
The InChIKey is QYUOSGWILOFDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN3O2/c1-28(17-20-9-5-7-19-8-6-11-23(28)26(19)20)32-15-13-21(14-16-32)33-24-12-4-3-10-22(24)29(30,27(33)35)18-25(34)31-2/h3-12,21H,13-18H2,1-2H3,(H,31,34).
What are the key properties of 2-[3-fluoro-1-[1-(1-methyl-2H-acenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide?
2-[3-fluoro-1-[1-(1-methyl-2H-acenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide has a molecular weight of 471.58 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-1-[1-(1-methyl-2H-acenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide is sourced from PubChem (CID 90259426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).