3-[7-[(2-methylpropan-2-yl)oxymethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C18H22N2O4 — CID 166658367

IUPAC3-[7-[(2-methylpropan-2-yl)oxymethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCC(C)(C)OCc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C18H22N2O4/c1-18(2,3)24-10-11-5-4-6-12-13(11)9-20(17(12)23)14-7-8-15(21)19-16(14)22/h4-6,14H,7-10H2,1-3H3,(H,19,21,22)
InChIKeyKRARYJGSPCGXPO-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.76
Rot. Bonds3

About 3-[7-[(2-methylpropan-2-yl)oxymethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[7-[(2-methylpropan-2-yl)oxymethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 166658367) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 3-[7-[(2-methylpropan-2-yl)oxymethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[7-[(2-methylpropan-2-yl)oxymethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID166658367
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name3-[7-[(2-methylpropan-2-yl)oxymethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCC(C)(C)OCc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C18H22N2O4/c1-18(2,3)24-10-11-5-4-6-12-13(11)9-20(17(12)23)14-7-8-15(21)19-16(14)22/h4-6,14H,7-10H2,1-3H3,(H,19,21,22)
InChIKeyKRARYJGSPCGXPO-UHFFFAOYSA-N
XLogP1.76
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[7-[(iodoamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162724516
3-[7-[3-[2-[3-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-4-yl]propoxy]ethoxy]propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 149278520
2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]ethyl formate
CID 163808810
methyl [2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]methanesulfonate
CID 175543319
3-[7-[[(1-amino-2-methylpropan-2-yl)-methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167715034
3-[7-[3-(2-methoxyethoxy)propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 147558760
3-[7-(4-bromobutyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155292459
3-[7-[[(2-amino-2-methylbutyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167722046
tert-butyl 4-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propanoyl]piperazine-1-carboxylate
CID 167470457
3-[7-(5-iodopentyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 172548311
3-[7-[[[4-(methylamino)cyclohexyl]methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167717160
3-[3-oxo-7-(piperazin-1-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione;dihydrochloride
CID 167723330

Frequently Asked Questions

What is the IUPAC name of 3-[7-[(2-methylpropan-2-yl)oxymethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[7-[(2-methylpropan-2-yl)oxymethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 166658367) is 3-[7-[(2-methylpropan-2-yl)oxymethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[7-[(2-methylpropan-2-yl)oxymethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[7-[(2-methylpropan-2-yl)oxymethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is CC(C)(C)OCc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 3-[7-[(2-methylpropan-2-yl)oxymethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is KRARYJGSPCGXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-18(2,3)24-10-11-5-4-6-12-13(11)9-20(17(12)23)14-7-8-15(21)19-16(14)22/h4-6,14H,7-10H2,1-3H3,(H,19,21,22).
What are the key properties of 3-[7-[(2-methylpropan-2-yl)oxymethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[7-[(2-methylpropan-2-yl)oxymethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 330.38 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[(2-methylpropan-2-yl)oxymethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 166658367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).