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

C27H26FN3O2 — CID 90270777

IUPAC2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-fluoro-2-oxoindol-3-yl]acetamide
SMILESNC(=O)CC1(F)C(=O)N(C2CCN(C3Cc4cccc5cccc3c45)CC2)c2ccccc21
InChIInChI=1S/C27H26FN3O2/c28-27(16-24(29)32)21-9-1-2-10-22(21)31(26(27)33)19-11-13-30(14-12-19)23-15-18-7-3-5-17-6-4-8-20(23)25(17)18/h1-10,19,23H,11-16H2,(H2,29,32)
InChIKeyMTQMRJPOSJOENJ-UHFFFAOYSA-N
MW443.52 g/mol
LogP3.99
Rot. Bonds4

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

2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-fluoro-2-oxoindol-3-yl]acetamide (PubChem CID 90270777) has the molecular formula C27H26FN3O2 and a molecular weight of 443.52 g/mol. Its IUPAC name is 2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-fluoro-2-oxoindol-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-fluoro-2-oxoindol-3-yl]acetamide
PubChem CID90270777
Molecular FormulaC27H26FN3O2
Molecular Weight443.52 g/mol
Exact Mass443.20
IUPAC Name2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-fluoro-2-oxoindol-3-yl]acetamide
SMILESNC(=O)CC1(F)C(=O)N(C2CCN(C3Cc4cccc5cccc3c45)CC2)c2ccccc21
InChIInChI=1S/C27H26FN3O2/c28-27(16-24(29)32)21-9-1-2-10-22(21)31(26(27)33)19-11-13-30(14-12-19)23-15-18-7-3-5-17-6-4-8-20(23)25(17)18/h1-10,19,23H,11-16H2,(H2,29,32)
InChIKeyMTQMRJPOSJOENJ-UHFFFAOYSA-N
XLogP3.99
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.52
LogP ≤ 53.99
H-Bond Donors ≤ 51
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]acetamide?
The IUPAC name of 2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-fluoro-2-oxoindol-3-yl]acetamide (CID 90270777) is 2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-fluoro-2-oxoindol-3-yl]acetamide.
What is the SMILES notation for 2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-fluoro-2-oxoindol-3-yl]acetamide?
The canonical SMILES for 2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-fluoro-2-oxoindol-3-yl]acetamide is NC(=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]acetamide?
The InChIKey is MTQMRJPOSJOENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O2/c28-27(16-24(29)32)21-9-1-2-10-22(21)31(26(27)33)19-11-13-30(14-12-19)23-15-18-7-3-5-17-6-4-8-20(23)25(17)18/h1-10,19,23H,11-16H2,(H2,29,32).
What are the key properties of 2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-fluoro-2-oxoindol-3-yl]acetamide?
2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-fluoro-2-oxoindol-3-yl]acetamide has a molecular weight of 443.52 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 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]acetamide is sourced from PubChem (CID 90270777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).