3-[6-[[(2R)-1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C27H30FN3O5 — CID 156500639

IUPAC3-[6-[[(2R)-1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCOc1ccc(CN2CCCC[C@@H]2COc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)cc1F
InChIInChI=1S/C27H30FN3O5/c1-35-24-9-5-17(12-22(24)28)14-30-11-3-2-4-19(30)16-36-20-6-7-21-18(13-20)15-31(27(21)34)23-8-10-25(32)29-26(23)33/h5-7,9,12-13,19,23H,2-4,8,10-11,14-16H2,1H3,(H,29,32,33)/t19-,23?/m1/s1
InChIKeyAQVJZYAJEFHYJN-HWYAHNCWSA-N
MW495.55 g/mol
LogP3.03
Rot. Bonds7

About 3-[6-[[(2R)-1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[[(2R)-1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 156500639) has the molecular formula C27H30FN3O5 and a molecular weight of 495.55 g/mol. Its IUPAC name is 3-[6-[[(2R)-1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[[(2R)-1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID156500639
Molecular FormulaC27H30FN3O5
Molecular Weight495.55 g/mol
Exact Mass495.22
IUPAC Name3-[6-[[(2R)-1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCOc1ccc(CN2CCCC[C@@H]2COc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)cc1F
InChIInChI=1S/C27H30FN3O5/c1-35-24-9-5-17(12-22(24)28)14-30-11-3-2-4-19(30)16-36-20-6-7-21-18(13-20)15-31(27(21)34)23-8-10-25(32)29-26(23)33/h5-7,9,12-13,19,23H,2-4,8,10-11,14-16H2,1H3,(H,29,32,33)/t19-,23?/m1/s1
InChIKeyAQVJZYAJEFHYJN-HWYAHNCWSA-N
XLogP3.03
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.55
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[6-[[(2R)-1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

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Related Compounds

3-[6-[[(2R)-1-[(6-fluoro-3-pyridinyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156500977
3-[6-[[(2R)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156501026
3-[6-[[(2R)-1-[(2-methoxyphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156500798
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
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
4-[[(2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]benzenesulfonamide
CID 156501020
3-[6-[[(2R)-1-[(4-morpholin-4-ylphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156511979
4-[[(2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]-3-methoxybenzonitrile
CID 156500609
3-[3-oxo-6-[[1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156500836
3-[3-oxo-6-[[1-[(4-piperazin-1-ylphenyl)methyl]piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156500481
3-[3-oxo-6-[[(2S)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156500833
3-[6-[[(2R)-1-(2-methylpropyl)piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156500672

Frequently Asked Questions

What is the IUPAC name of 3-[6-[[(2R)-1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 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) is 3-[6-[[(2R)-1-[(3-fluoro-4-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-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[[(2R)-1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is COc1ccc(CN2CCCC[C@@H]2COc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)cc1F.
What is the InChIKey of 3-[6-[[(2R)-1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is AQVJZYAJEFHYJN-HWYAHNCWSA-N. The full InChI is InChI=1S/C27H30FN3O5/c1-35-24-9-5-17(12-22(24)28)14-30-11-3-2-4-19(30)16-36-20-6-7-21-18(13-20)15-31(27(21)34)23-8-10-25(32)29-26(23)33/h5-7,9,12-13,19,23H,2-4,8,10-11,14-16H2,1H3,(H,29,32,33)/t19-,23?/m1/s1.
What are the key properties of 3-[6-[[(2R)-1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[6-[[(2R)-1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 495.55 g/mol, XLogP of 3.03, 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-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 156500639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).