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

C27H27N3O3 — CID 86303395

IUPAC2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]acetamide
SMILESNC(=O)CC1(O)C(=O)N(C2CCN(C3Cc4cccc5cccc3c45)CC2)c2ccccc21
InChIInChI=1S/C27H27N3O3/c28-24(31)16-27(33)21-9-1-2-10-22(21)30(26(27)32)19-11-13-29(14-12-19)23-15-18-7-3-5-17-6-4-8-20(23)25(17)18/h1-10,19,23,33H,11-16H2,(H2,28,31)
InChIKeyJSJXLQKYWHTFBH-UHFFFAOYSA-N
MW441.53 g/mol
LogP3.01
Rot. Bonds4

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

2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]acetamide (PubChem CID 86303395) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is 2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]acetamide
PubChem CID86303395
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC Name2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]acetamide
SMILESNC(=O)CC1(O)C(=O)N(C2CCN(C3Cc4cccc5cccc3c45)CC2)c2ccccc21
InChIInChI=1S/C27H27N3O3/c28-24(31)16-27(33)21-9-1-2-10-22(21)30(26(27)32)19-11-13-29(14-12-19)23-15-18-7-3-5-17-6-4-8-20(23)25(17)18/h1-10,19,23,33H,11-16H2,(H2,28,31)
InChIKeyJSJXLQKYWHTFBH-UHFFFAOYSA-N
XLogP3.01
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-hydroxy-2-oxoindol-3-yl]acetamide?
The IUPAC name of 2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]acetamide (CID 86303395) is 2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]acetamide.
What is the SMILES notation for 2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]acetamide?
The canonical SMILES for 2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]acetamide is NC(=O)CC1(O)C(=O)N(C2CCN(C3Cc4cccc5cccc3c45)CC2)c2ccccc21.
What is the InChIKey of 2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]acetamide?
The InChIKey is JSJXLQKYWHTFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3/c28-24(31)16-27(33)21-9-1-2-10-22(21)30(26(27)32)19-11-13-29(14-12-19)23-15-18-7-3-5-17-6-4-8-20(23)25(17)18/h1-10,19,23,33H,11-16H2,(H2,28,31).
What are the key properties of 2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]acetamide?
2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]acetamide has a molecular weight of 441.53 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]acetamide is sourced from PubChem (CID 86303395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).