3-[6-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C25H23N3O4 — CID 166819387

IUPAC3-[6-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCOc1ccc2cc(CNc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)ccc2c1
InChIInChI=1S/C25H23N3O4/c1-32-20-6-4-16-10-15(2-3-17(16)12-20)13-26-19-5-7-21-18(11-19)14-28(25(21)31)22-8-9-23(29)27-24(22)30/h2-7,10-12,22,26H,8-9,13-14H2,1H3,(H,27,29,30)
InChIKeyAJWUTMRBZOMJOJ-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.22
Rot. Bonds5

About 3-[6-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 166819387) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is 3-[6-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID166819387
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Name3-[6-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCOc1ccc2cc(CNc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)ccc2c1
InChIInChI=1S/C25H23N3O4/c1-32-20-6-4-16-10-15(2-3-17(16)12-20)13-26-19-5-7-21-18(11-19)14-28(25(21)31)22-8-9-23(29)27-24(22)30/h2-7,10-12,22,26H,8-9,13-14H2,1H3,(H,27,29,30)
InChIKeyAJWUTMRBZOMJOJ-UHFFFAOYSA-N
XLogP3.22
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 166819387) is 3-[6-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is COc1ccc2cc(CNc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)ccc2c1.
What is the InChIKey of 3-[6-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is AJWUTMRBZOMJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-32-20-6-4-16-10-15(2-3-17(16)12-20)13-26-19-5-7-21-18(11-19)14-28(25(21)31)22-8-9-23(29)27-24(22)30/h2-7,10-12,22,26H,8-9,13-14H2,1H3,(H,27,29,30).
What are the key properties of 3-[6-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[6-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 429.48 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 166819387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).