1-[1-(2-hydroxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1'-methylspiro[indole-3,4'-pyrrolidine]-2,2'-dione

C29H29N3O3 — CID 123873091

IUPAC1-[1-(2-hydroxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1'-methylspiro[indole-3,4'-pyrrolidine]-2,2'-dione
SMILESCN1CC2(CC1=O)C(=O)N(C1CCN(C3c4cccc5cccc(c45)C3O)CC1)c1ccccc12
InChIInChI=1S/C29H29N3O3/c1-30-17-29(16-24(30)33)22-10-2-3-11-23(22)32(28(29)35)19-12-14-31(15-13-19)26-20-8-4-6-18-7-5-9-21(25(18)20)27(26)34/h2-11,19,26-27,34H,12-17H2,1H3
InChIKeyJLPFDIWIHLFTJU-UHFFFAOYSA-N
MW467.57 g/mol
LogP3.54
Rot. Bonds2

About 1-[1-(2-hydroxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1'-methylspiro[indole-3,4'-pyrrolidine]-2,2'-dione

1-[1-(2-hydroxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1'-methylspiro[indole-3,4'-pyrrolidine]-2,2'-dione (PubChem CID 123873091) has the molecular formula C29H29N3O3 and a molecular weight of 467.57 g/mol. Its IUPAC name is 1-[1-(2-hydroxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1'-methylspiro[indole-3,4'-pyrrolidine]-2,2'-dione.

Molecular Properties

Compound Name1-[1-(2-hydroxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1'-methylspiro[indole-3,4'-pyrrolidine]-2,2'-dione
PubChem CID123873091
Molecular FormulaC29H29N3O3
Molecular Weight467.57 g/mol
Exact Mass467.22
IUPAC Name1-[1-(2-hydroxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1'-methylspiro[indole-3,4'-pyrrolidine]-2,2'-dione
SMILESCN1CC2(CC1=O)C(=O)N(C1CCN(C3c4cccc5cccc(c45)C3O)CC1)c1ccccc12
InChIInChI=1S/C29H29N3O3/c1-30-17-29(16-24(30)33)22-10-2-3-11-23(22)32(28(29)35)19-12-14-31(15-13-19)26-20-8-4-6-18-7-5-9-21(25(18)20)27(26)34/h2-11,19,26-27,34H,12-17H2,1H3
InChIKeyJLPFDIWIHLFTJU-UHFFFAOYSA-N
XLogP3.54
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydroxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1'-methylspiro[indole-3,4'-pyrrolidine]-2,2'-dione?
The IUPAC name of 1-[1-(2-hydroxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1'-methylspiro[indole-3,4'-pyrrolidine]-2,2'-dione (CID 123873091) is 1-[1-(2-hydroxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1'-methylspiro[indole-3,4'-pyrrolidine]-2,2'-dione.
What is the SMILES notation for 1-[1-(2-hydroxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1'-methylspiro[indole-3,4'-pyrrolidine]-2,2'-dione?
The canonical SMILES for 1-[1-(2-hydroxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1'-methylspiro[indole-3,4'-pyrrolidine]-2,2'-dione is CN1CC2(CC1=O)C(=O)N(C1CCN(C3c4cccc5cccc(c45)C3O)CC1)c1ccccc12.
What is the InChIKey of 1-[1-(2-hydroxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1'-methylspiro[indole-3,4'-pyrrolidine]-2,2'-dione?
The InChIKey is JLPFDIWIHLFTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O3/c1-30-17-29(16-24(30)33)22-10-2-3-11-23(22)32(28(29)35)19-12-14-31(15-13-19)26-20-8-4-6-18-7-5-9-21(25(18)20)27(26)34/h2-11,19,26-27,34H,12-17H2,1H3.
What are the key properties of 1-[1-(2-hydroxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1'-methylspiro[indole-3,4'-pyrrolidine]-2,2'-dione?
1-[1-(2-hydroxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1'-methylspiro[indole-3,4'-pyrrolidine]-2,2'-dione has a molecular weight of 467.57 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-hydroxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1'-methylspiro[indole-3,4'-pyrrolidine]-2,2'-dione is sourced from PubChem (CID 123873091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).