2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-fluoro-2-oxoindol-3-yl]-N,N-dimethylacetamide

C29H30FN3O2 — CID 90270769

IUPAC2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-fluoro-2-oxoindol-3-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1(F)C(=O)N(C2CCN(C3Cc4cccc5cccc3c45)CC2)c2ccccc21
InChIInChI=1S/C29H30FN3O2/c1-31(2)26(34)18-29(30)23-11-3-4-12-24(23)33(28(29)35)21-13-15-32(16-14-21)25-17-20-9-5-7-19-8-6-10-22(25)27(19)20/h3-12,21,25H,13-18H2,1-2H3
InChIKeyMZTKYIGBXIAYSG-UHFFFAOYSA-N
MW471.58 g/mol
LogP4.59
Rot. Bonds4

About 2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-fluoro-2-oxoindol-3-yl]-N,N-dimethylacetamide

2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-fluoro-2-oxoindol-3-yl]-N,N-dimethylacetamide (PubChem CID 90270769) has the molecular formula C29H30FN3O2 and a molecular weight of 471.58 g/mol. Its IUPAC name is 2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-fluoro-2-oxoindol-3-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-fluoro-2-oxoindol-3-yl]-N,N-dimethylacetamide
PubChem CID90270769
Molecular FormulaC29H30FN3O2
Molecular Weight471.58 g/mol
Exact Mass471.23
IUPAC Name2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-fluoro-2-oxoindol-3-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1(F)C(=O)N(C2CCN(C3Cc4cccc5cccc3c45)CC2)c2ccccc21
InChIInChI=1S/C29H30FN3O2/c1-31(2)26(34)18-29(30)23-11-3-4-12-24(23)33(28(29)35)21-13-15-32(16-14-21)25-17-20-9-5-7-19-8-6-10-22(25)27(19)20/h3-12,21,25H,13-18H2,1-2H3
InChIKeyMZTKYIGBXIAYSG-UHFFFAOYSA-N
XLogP4.59
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-fluoro-2-oxoindol-3-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-fluoro-2-oxoindol-3-yl]-N,N-dimethylacetamide (CID 90270769) is 2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-fluoro-2-oxoindol-3-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-fluoro-2-oxoindol-3-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-fluoro-2-oxoindol-3-yl]-N,N-dimethylacetamide is CN(C)C(=O)CC1(F)C(=O)N(C2CCN(C3Cc4cccc5cccc3c45)CC2)c2ccccc21.
What is the InChIKey of 2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-fluoro-2-oxoindol-3-yl]-N,N-dimethylacetamide?
The InChIKey is MZTKYIGBXIAYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN3O2/c1-31(2)26(34)18-29(30)23-11-3-4-12-24(23)33(28(29)35)21-13-15-32(16-14-21)25-17-20-9-5-7-19-8-6-10-22(25)27(19)20/h3-12,21,25H,13-18H2,1-2H3.
What are the key properties of 2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-fluoro-2-oxoindol-3-yl]-N,N-dimethylacetamide?
2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-fluoro-2-oxoindol-3-yl]-N,N-dimethylacetamide has a molecular weight of 471.58 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-fluoro-2-oxoindol-3-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 90270769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).