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

C20H25N3O5 — CID 156500476

IUPAC1-(hydroxymethyl)-3-[3-oxo-6-[[(2S)-piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(OC[C@@H]4CCCCN4)ccc3C2=O)C(=O)N1CO
InChIInChI=1S/C20H25N3O5/c24-12-23-18(25)7-6-17(20(23)27)22-10-13-9-15(4-5-16(13)19(22)26)28-11-14-3-1-2-8-21-14/h4-5,9,14,17,21,24H,1-3,6-8,10-12H2/t14-,17?/m0/s1
InChIKeyJXDBXXVRFHTMJX-MBIQTGHCSA-N
MW387.44 g/mol
LogP0.63
Rot. Bonds5

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

1-(hydroxymethyl)-3-[3-oxo-6-[[(2S)-piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 156500476) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is 1-(hydroxymethyl)-3-[3-oxo-6-[[(2S)-piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-(hydroxymethyl)-3-[3-oxo-6-[[(2S)-piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID156500476
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC Name1-(hydroxymethyl)-3-[3-oxo-6-[[(2S)-piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(OC[C@@H]4CCCCN4)ccc3C2=O)C(=O)N1CO
InChIInChI=1S/C20H25N3O5/c24-12-23-18(25)7-6-17(20(23)27)22-10-13-9-15(4-5-16(13)19(22)26)28-11-14-3-1-2-8-21-14/h4-5,9,14,17,21,24H,1-3,6-8,10-12H2/t14-,17?/m0/s1
InChIKeyJXDBXXVRFHTMJX-MBIQTGHCSA-N
XLogP0.63
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

2-piperazin-2-yl-5-(piperidin-2-ylmethoxy)-3H-isoindol-1-one
CID 175297258
1-(hydroxymethyl)-3-[6-[(3R,5R)-5-methylpiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166154122
3-[6-[[(3R)-morpholin-3-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 163268151
3-[6-[(4-methylcyclohexyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155331384
1-(hydroxymethyl)-3-[6-[4-methyl-3-(6-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170628753
3-(6-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 146300156
3-[6-[2-[2-(3-hydroxypropoxy)ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 165380108
3-[6-(2-bromoethoxy)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167272836
3-[6-(azepan-3-yloxy)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 175487584
3-[6-[(3R,4S)-4-methyloxolan-3-yl]oxy-3-oxo-1H-isoindol-2-yl]-1-(2-trimethylsilylethoxymethyl)piperidine-2,6-dione
CID 153312981
tert-butyl (3R)-3-[[2-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-1-oxo-3H-isoindol-5-yl]oxy]azepane-1-carboxylate
CID 166154226
3-(6-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;ethane
CID 153391942

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-3-[3-oxo-6-[[(2S)-piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 1-(hydroxymethyl)-3-[3-oxo-6-[[(2S)-piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione (CID 156500476) is 1-(hydroxymethyl)-3-[3-oxo-6-[[(2S)-piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 1-(hydroxymethyl)-3-[3-oxo-6-[[(2S)-piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 1-(hydroxymethyl)-3-[3-oxo-6-[[(2S)-piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cc(OC[C@@H]4CCCCN4)ccc3C2=O)C(=O)N1CO.
What is the InChIKey of 1-(hydroxymethyl)-3-[3-oxo-6-[[(2S)-piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is JXDBXXVRFHTMJX-MBIQTGHCSA-N. The full InChI is InChI=1S/C20H25N3O5/c24-12-23-18(25)7-6-17(20(23)27)22-10-13-9-15(4-5-16(13)19(22)26)28-11-14-3-1-2-8-21-14/h4-5,9,14,17,21,24H,1-3,6-8,10-12H2/t14-,17?/m0/s1.
What are the key properties of 1-(hydroxymethyl)-3-[3-oxo-6-[[(2S)-piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione?
1-(hydroxymethyl)-3-[3-oxo-6-[[(2S)-piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 387.44 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-3-[3-oxo-6-[[(2S)-piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 156500476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).