3-[6-[[(2R)-1-[(2-methoxyphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C27H31N3O5 — CID 156500798

IUPAC3-[6-[[(2R)-1-[(2-methoxyphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCOc1ccccc1CN1CCCC[C@@H]1COc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C27H31N3O5/c1-34-24-8-3-2-6-18(24)15-29-13-5-4-7-20(29)17-35-21-9-10-22-19(14-21)16-30(27(22)33)23-11-12-25(31)28-26(23)32/h2-3,6,8-10,14,20,23H,4-5,7,11-13,15-17H2,1H3,(H,28,31,32)/t20-,23?/m1/s1
InChIKeyFJRVKDIBFCTIOT-PPUHSXQSSA-N
MW477.56 g/mol
LogP2.89
Rot. Bonds7

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

3-[6-[[(2R)-1-[(2-methoxyphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 156500798) has the molecular formula C27H31N3O5 and a molecular weight of 477.56 g/mol. Its IUPAC name is 3-[6-[[(2R)-1-[(2-methoxyphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[[(2R)-1-[(2-methoxyphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID156500798
Molecular FormulaC27H31N3O5
Molecular Weight477.56 g/mol
Exact Mass477.23
IUPAC Name3-[6-[[(2R)-1-[(2-methoxyphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCOc1ccccc1CN1CCCC[C@@H]1COc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C27H31N3O5/c1-34-24-8-3-2-6-18(24)15-29-13-5-4-7-20(29)17-35-21-9-10-22-19(14-21)16-30(27(22)33)23-11-12-25(31)28-26(23)32/h2-3,6,8-10,14,20,23H,4-5,7,11-13,15-17H2,1H3,(H,28,31,32)/t20-,23?/m1/s1
InChIKeyFJRVKDIBFCTIOT-PPUHSXQSSA-N
XLogP2.89
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.56
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[6-[[(2R)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156501026
4-[[(2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]-3-methoxybenzonitrile
CID 156500609
2-[[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]benzonitrile
CID 156500707
3-[6-[[(2R)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156500691
3-[6-[[(2R)-1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156500639
3-[3-oxo-6-[[(2S)-1-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156512034
3-[6-[[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156500770
3-[6-[[(2R)-1-(2-methylpropyl)piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156500672
3-[6-[[1-[(3-fluoro-2-methylcyclobuten-1-yl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 174201274
3-[6-[[(2R)-1-[(5-fluoro-2-piperazin-1-ylphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[[(2R)-1-[(5-fluoro-2-piperidin-1-ylphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride
CID 167536201
3-[6-[[(2R)-1-[(3-methylcyclobutyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 174202485
3-[6-[[(2R)-1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156500784

Frequently Asked Questions

What is the IUPAC name of 3-[6-[[(2R)-1-[(2-methoxyphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[[(2R)-1-[(2-methoxyphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 156500798) is 3-[6-[[(2R)-1-[(2-methoxyphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[[(2R)-1-[(2-methoxyphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[[(2R)-1-[(2-methoxyphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is COc1ccccc1CN1CCCC[C@@H]1COc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 3-[6-[[(2R)-1-[(2-methoxyphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is FJRVKDIBFCTIOT-PPUHSXQSSA-N. The full InChI is InChI=1S/C27H31N3O5/c1-34-24-8-3-2-6-18(24)15-29-13-5-4-7-20(29)17-35-21-9-10-22-19(14-21)16-30(27(22)33)23-11-12-25(31)28-26(23)32/h2-3,6,8-10,14,20,23H,4-5,7,11-13,15-17H2,1H3,(H,28,31,32)/t20-,23?/m1/s1.
What are the key properties of 3-[6-[[(2R)-1-[(2-methoxyphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[6-[[(2R)-1-[(2-methoxyphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 477.56 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[(2R)-1-[(2-methoxyphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 156500798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).