3-[5-(azidomethyl)-7-methoxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C15H15N5O4 — CID 170171290

IUPAC3-[5-(azidomethyl)-7-methoxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCOc1cc(CN=[N+]=[N-])cc2c1CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C15H15N5O4/c1-24-12-5-8(6-17-19-16)4-9-10(12)7-20(15(9)23)11-2-3-13(21)18-14(11)22/h4-5,11H,2-3,6-7H2,1H3,(H,18,21,22)
InChIKeyAIXIIHDHDCVSKF-UHFFFAOYSA-N
MW329.32 g/mol
LogP1.27
Rot. Bonds4

About 3-[5-(azidomethyl)-7-methoxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[5-(azidomethyl)-7-methoxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 170171290) has the molecular formula C15H15N5O4 and a molecular weight of 329.32 g/mol. Its IUPAC name is 3-[5-(azidomethyl)-7-methoxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-(azidomethyl)-7-methoxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID170171290
Molecular FormulaC15H15N5O4
Molecular Weight329.32 g/mol
Exact Mass329.11
IUPAC Name3-[5-(azidomethyl)-7-methoxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCOc1cc(CN=[N+]=[N-])cc2c1CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C15H15N5O4/c1-24-12-5-8(6-17-19-16)4-9-10(12)7-20(15(9)23)11-2-3-13(21)18-14(11)22/h4-5,11H,2-3,6-7H2,1H3,(H,18,21,22)
InChIKeyAIXIIHDHDCVSKF-UHFFFAOYSA-N
XLogP1.27
TPSA124.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

[2-(2,6-dioxopiperidin-3-yl)-7-methoxy-3-oxo-1H-isoindol-5-yl]methyl N-(4-cyclobutylphenyl)carbamate
CID 166074243
3-[7-[(3-methoxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 53354514
[2-(2,6-dioxopiperidin-3-yl)-7-methoxy-3-oxo-1H-isoindol-5-yl]methyl N-(5-methyl-6-phenyl-3-pyridinyl)carbamate
CID 166074291
3-(5-methoxy-3-oxo-6-phenylmethoxy-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167342515
3-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167342225
3-(3-oxo-5-propyl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 163614917
(3R)-3-(3-oxo-5-propyl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 174302674
3-(4-chloro-7-methoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167342046
3-[7-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 150748364
methyl 7-bromo-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carboxylate
CID 166074332
3-[7-[(4-hydroxy-3,5-dimethoxyphenyl)diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 154722039
[2-(2,6-dioxopiperidin-3-yl)-7-methoxy-3-oxo-1H-isoindol-5-yl] N-(3-chloro-4-methylphenyl)-N-methylcarbamate
CID 166074313

Frequently Asked Questions

What is the IUPAC name of 3-[5-(azidomethyl)-7-methoxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[5-(azidomethyl)-7-methoxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 170171290) is 3-[5-(azidomethyl)-7-methoxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-(azidomethyl)-7-methoxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-(azidomethyl)-7-methoxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is COc1cc(CN=[N+]=[N-])cc2c1CN(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 3-[5-(azidomethyl)-7-methoxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is AIXIIHDHDCVSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O4/c1-24-12-5-8(6-17-19-16)4-9-10(12)7-20(15(9)23)11-2-3-13(21)18-14(11)22/h4-5,11H,2-3,6-7H2,1H3,(H,18,21,22).
What are the key properties of 3-[5-(azidomethyl)-7-methoxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[5-(azidomethyl)-7-methoxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 329.32 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(azidomethyl)-7-methoxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 170171290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).