[2-(2,6-dioxopiperidin-3-yl)-7-methoxy-1-oxo-3H-isoindol-5-yl]azanium

C14H16N3O4+ — CID 163510675

IUPAC[2-(2,6-dioxopiperidin-3-yl)-7-methoxy-1-oxo-3H-isoindol-5-yl]azanium
SMILESCOc1cc([NH3+])cc2c1C(=O)N(C1CCC(=O)NC1=O)C2
InChIInChI=1S/C14H15N3O4/c1-21-10-5-8(15)4-7-6-17(14(20)12(7)10)9-2-3-11(18)16-13(9)19/h4-5,9H,2-3,6,15H2,1H3,(H,16,18,19)/p+1
InChIKeyDCKWYRWDFIFCNR-UHFFFAOYSA-O
MW290.30 g/mol
LogP-0.67
Rot. Bonds2

About [2-(2,6-dioxopiperidin-3-yl)-7-methoxy-1-oxo-3H-isoindol-5-yl]azanium

[2-(2,6-dioxopiperidin-3-yl)-7-methoxy-1-oxo-3H-isoindol-5-yl]azanium (PubChem CID 163510675) has the molecular formula C14H16N3O4+ and a molecular weight of 290.30 g/mol. Its IUPAC name is [2-(2,6-dioxopiperidin-3-yl)-7-methoxy-1-oxo-3H-isoindol-5-yl]azanium.

Molecular Properties

Compound Name[2-(2,6-dioxopiperidin-3-yl)-7-methoxy-1-oxo-3H-isoindol-5-yl]azanium
PubChem CID163510675
Molecular FormulaC14H16N3O4+
Molecular Weight290.30 g/mol
Exact Mass290.11
IUPAC Name[2-(2,6-dioxopiperidin-3-yl)-7-methoxy-1-oxo-3H-isoindol-5-yl]azanium
SMILESCOc1cc([NH3+])cc2c1C(=O)N(C1CCC(=O)NC1=O)C2
InChIInChI=1S/C14H15N3O4/c1-21-10-5-8(15)4-7-6-17(14(20)12(7)10)9-2-3-11(18)16-13(9)19/h4-5,9H,2-3,6,15H2,1H3,(H,16,18,19)/p+1
InChIKeyDCKWYRWDFIFCNR-UHFFFAOYSA-O
XLogP-0.67
TPSA103.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167342225
3-[6-[4-(dimethoxymethyl)piperidin-1-yl]-4-methoxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 165137919
3-(6-chloro-4-methoxy-3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)piperidine-2,6-dione
CID 168992609
3-[6-[3-[4-(4-bromophenyl)piperazin-1-yl]azetidin-1-yl]-4-methoxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162741747
3-(4-chloro-7-methoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167342046
2-(2,6-dioxopiperidin-3-yl)-7-fluoro-1-oxo-3H-isoindole-5-carboxylic acid
CID 167342551
(3S)-3-[6-[3-(dimethoxymethyl)cyclobutyl]-4-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171069824
2-(2,6-dioxopiperidin-3-yl)-4-methoxy-3-oxo-1H-isoindole-5-carboxylic acid
CID 167342404
3-(4-bromo-6-cyclopropyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167342291
3-(4-bromo-6-methylsulfonyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167342393
methylazanium;3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155746155
3-[4-(difluoromethoxy)-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl]piperidine-2,6-dione
CID 134580025

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dioxopiperidin-3-yl)-7-methoxy-1-oxo-3H-isoindol-5-yl]azanium?
The IUPAC name of [2-(2,6-dioxopiperidin-3-yl)-7-methoxy-1-oxo-3H-isoindol-5-yl]azanium (CID 163510675) is [2-(2,6-dioxopiperidin-3-yl)-7-methoxy-1-oxo-3H-isoindol-5-yl]azanium.
What is the SMILES notation for [2-(2,6-dioxopiperidin-3-yl)-7-methoxy-1-oxo-3H-isoindol-5-yl]azanium?
The canonical SMILES for [2-(2,6-dioxopiperidin-3-yl)-7-methoxy-1-oxo-3H-isoindol-5-yl]azanium is COc1cc([NH3+])cc2c1C(=O)N(C1CCC(=O)NC1=O)C2.
What is the InChIKey of [2-(2,6-dioxopiperidin-3-yl)-7-methoxy-1-oxo-3H-isoindol-5-yl]azanium?
The InChIKey is DCKWYRWDFIFCNR-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H15N3O4/c1-21-10-5-8(15)4-7-6-17(14(20)12(7)10)9-2-3-11(18)16-13(9)19/h4-5,9H,2-3,6,15H2,1H3,(H,16,18,19)/p+1.
What are the key properties of [2-(2,6-dioxopiperidin-3-yl)-7-methoxy-1-oxo-3H-isoindol-5-yl]azanium?
[2-(2,6-dioxopiperidin-3-yl)-7-methoxy-1-oxo-3H-isoindol-5-yl]azanium has a molecular weight of 290.30 g/mol, XLogP of -0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dioxopiperidin-3-yl)-7-methoxy-1-oxo-3H-isoindol-5-yl]azanium is sourced from PubChem (CID 163510675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).