3-[7-[[4-[(2S,3R)-3-aminooxolan-2-yl]piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C23H30N4O4 — CID 167736388

IUPAC3-[7-[[4-[(2S,3R)-3-aminooxolan-2-yl]piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESN[C@@H]1CCO[C@H]1C1CCN(Cc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)CC1
InChIInChI=1S/C23H30N4O4/c24-18-8-11-31-21(18)14-6-9-26(10-7-14)12-15-2-1-3-16-17(15)13-27(23(16)30)19-4-5-20(28)25-22(19)29/h1-3,14,18-19,21H,4-13,24H2,(H,25,28,29)/t18-,19?,21+/m1/s1
InChIKeyIFLNZRJQGNPGNO-DRPMKMPGSA-N
MW426.52 g/mol
LogP0.78
Rot. Bonds4

About 3-[7-[[4-[(2S,3R)-3-aminooxolan-2-yl]piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[7-[[4-[(2S,3R)-3-aminooxolan-2-yl]piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167736388) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is 3-[7-[[4-[(2S,3R)-3-aminooxolan-2-yl]piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[7-[[4-[(2S,3R)-3-aminooxolan-2-yl]piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID167736388
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC Name3-[7-[[4-[(2S,3R)-3-aminooxolan-2-yl]piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESN[C@@H]1CCO[C@H]1C1CCN(Cc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)CC1
InChIInChI=1S/C23H30N4O4/c24-18-8-11-31-21(18)14-6-9-26(10-7-14)12-15-2-1-3-16-17(15)13-27(23(16)30)19-4-5-20(28)25-22(19)29/h1-3,14,18-19,21H,4-13,24H2,(H,25,28,29)/t18-,19?,21+/m1/s1
InChIKeyIFLNZRJQGNPGNO-DRPMKMPGSA-N
XLogP0.78
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[7-[[4-(3-aminooxan-2-yl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167726507
3-[7-[[(3R,4R)-3-amino-4-fluoropiperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167735222
3-[7-[[(3R)-3-aminopyrrolidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167732257
3-[7-[[4-(azocan-5-yl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167734383
3-[7-[[4-(1-aminocyclopropyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167735464
3-[3-oxo-7-(piperazin-1-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione;dihydrochloride
CID 167723330
3-[3-oxo-7-[(3-piperidin-4-ylpyrrolidin-1-yl)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167723587
3-[7-[(3-aminopiperidin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167728297
3-[7-[(9-amino-6-azaspiro[3.5]nonan-6-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167728772
3-[7-[[4-amino-4-(hydroxymethyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167715820
3-[3-oxo-7-[(2-piperidin-4-ylmorpholin-4-yl)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167717233
3-[7-[(5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167736178

Frequently Asked Questions

What is the IUPAC name of 3-[7-[[4-[(2S,3R)-3-aminooxolan-2-yl]piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[7-[[4-[(2S,3R)-3-aminooxolan-2-yl]piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167736388) is 3-[7-[[4-[(2S,3R)-3-aminooxolan-2-yl]piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[7-[[4-[(2S,3R)-3-aminooxolan-2-yl]piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[7-[[4-[(2S,3R)-3-aminooxolan-2-yl]piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is N[C@@H]1CCO[C@H]1C1CCN(Cc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)CC1.
What is the InChIKey of 3-[7-[[4-[(2S,3R)-3-aminooxolan-2-yl]piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is IFLNZRJQGNPGNO-DRPMKMPGSA-N. The full InChI is InChI=1S/C23H30N4O4/c24-18-8-11-31-21(18)14-6-9-26(10-7-14)12-15-2-1-3-16-17(15)13-27(23(16)30)19-4-5-20(28)25-22(19)29/h1-3,14,18-19,21H,4-13,24H2,(H,25,28,29)/t18-,19?,21+/m1/s1.
What are the key properties of 3-[7-[[4-[(2S,3R)-3-aminooxolan-2-yl]piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[7-[[4-[(2S,3R)-3-aminooxolan-2-yl]piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 426.52 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[[4-[(2S,3R)-3-aminooxolan-2-yl]piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167736388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).