3-[3-oxo-6-[[(2R)-1-[(3S)-oxolane-3-carbonyl]piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione

C24H29N3O6 — CID 156512014

IUPAC3-[3-oxo-6-[[(2R)-1-[(3S)-oxolane-3-carbonyl]piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(OC[C@H]4CCCCN4C(=O)[C@H]4CCOC4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C24H29N3O6/c28-21-7-6-20(22(29)25-21)27-12-16-11-18(4-5-19(16)24(27)31)33-14-17-3-1-2-9-26(17)23(30)15-8-10-32-13-15/h4-5,11,15,17,20H,1-3,6-10,12-14H2,(H,25,28,29)/t15-,17+,20?/m0/s1
InChIKeyQJQFAKBCKIBBFF-DAPIJDQBSA-N
MW455.51 g/mol
LogP1.24
Rot. Bonds5

About 3-[3-oxo-6-[[(2R)-1-[(3S)-oxolane-3-carbonyl]piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione

3-[3-oxo-6-[[(2R)-1-[(3S)-oxolane-3-carbonyl]piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 156512014) has the molecular formula C24H29N3O6 and a molecular weight of 455.51 g/mol. Its IUPAC name is 3-[3-oxo-6-[[(2R)-1-[(3S)-oxolane-3-carbonyl]piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-oxo-6-[[(2R)-1-[(3S)-oxolane-3-carbonyl]piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID156512014
Molecular FormulaC24H29N3O6
Molecular Weight455.51 g/mol
Exact Mass455.21
IUPAC Name3-[3-oxo-6-[[(2R)-1-[(3S)-oxolane-3-carbonyl]piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(OC[C@H]4CCCCN4C(=O)[C@H]4CCOC4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C24H29N3O6/c28-21-7-6-20(22(29)25-21)27-12-16-11-18(4-5-19(16)24(27)31)33-14-17-3-1-2-9-26(17)23(30)15-8-10-32-13-15/h4-5,11,15,17,20H,1-3,6-10,12-14H2,(H,25,28,29)/t15-,17+,20?/m0/s1
InChIKeyQJQFAKBCKIBBFF-DAPIJDQBSA-N
XLogP1.24
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[3-oxo-6-[[(2R)-1-[(3S)-oxolane-3-carbonyl]piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

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Related Compounds

3-[6-[[(2R)-1-(4-morpholin-4-ylbenzoyl)piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156512274
3-[6-[[(2R)-1-[2-(dimethylamino)acetyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156512019
3-[6-[[(2R)-1-(1-benzylpiperidine-3-carbonyl)piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156512031
3-[6-[[(2S)-1-[(2S)-1-benzoylpyrrolidine-2-carbonyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156512015
3-[3-oxo-6-[[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156501049
3-[6-[[1-[2-(4-methoxyphenyl)-2-methylpropanoyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156792013
3-[6-[[(2R)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156512127
3-[6-[[(2R)-1-[5-(4-bromophenyl)-1,2-oxazole-3-carbonyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156512083
3-[3-oxo-6-[[(2R)-1-(4-pentylbenzoyl)piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156512029
3-[6-[[(2S)-1-[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166499442
3-[3-oxo-6-[[(2R)-1-(1H-pyrrolo[3,2-c]pyridine-4-carbonyl)piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156512009
3-[3-oxo-6-[[(2S)-1-(1H-pyrrolo[3,2-c]pyridine-4-carbonyl)piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156512007

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-6-[[(2R)-1-[(3S)-oxolane-3-carbonyl]piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-oxo-6-[[(2R)-1-[(3S)-oxolane-3-carbonyl]piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione (CID 156512014) is 3-[3-oxo-6-[[(2R)-1-[(3S)-oxolane-3-carbonyl]piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-oxo-6-[[(2R)-1-[(3S)-oxolane-3-carbonyl]piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-oxo-6-[[(2R)-1-[(3S)-oxolane-3-carbonyl]piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cc(OC[C@H]4CCCCN4C(=O)[C@H]4CCOC4)ccc3C2=O)C(=O)N1.
What is the InChIKey of 3-[3-oxo-6-[[(2R)-1-[(3S)-oxolane-3-carbonyl]piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is QJQFAKBCKIBBFF-DAPIJDQBSA-N. The full InChI is InChI=1S/C24H29N3O6/c28-21-7-6-20(22(29)25-21)27-12-16-11-18(4-5-19(16)24(27)31)33-14-17-3-1-2-9-26(17)23(30)15-8-10-32-13-15/h4-5,11,15,17,20H,1-3,6-10,12-14H2,(H,25,28,29)/t15-,17+,20?/m0/s1.
What are the key properties of 3-[3-oxo-6-[[(2R)-1-[(3S)-oxolane-3-carbonyl]piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[3-oxo-6-[[(2R)-1-[(3S)-oxolane-3-carbonyl]piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 455.51 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-6-[[(2R)-1-[(3S)-oxolane-3-carbonyl]piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 156512014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).