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

C23H30N4O5 — CID 156512019

IUPAC3-[6-[[(2R)-1-[2-(dimethylamino)acetyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCN(C)CC(=O)N1CCCC[C@@H]1COc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C23H30N4O5/c1-25(2)13-21(29)26-10-4-3-5-16(26)14-32-17-6-7-18-15(11-17)12-27(23(18)31)19-8-9-20(28)24-22(19)30/h6-7,11,16,19H,3-5,8-10,12-14H2,1-2H3,(H,24,28,30)/t16-,19?/m1/s1
InChIKeyKBGINTCLXHBYAD-VTBWFHPJSA-N
MW442.52 g/mol
LogP0.77
Rot. Bonds6

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

3-[6-[[(2R)-1-[2-(dimethylamino)acetyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 156512019) has the molecular formula C23H30N4O5 and a molecular weight of 442.52 g/mol. Its IUPAC name is 3-[6-[[(2R)-1-[2-(dimethylamino)acetyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[[(2R)-1-[2-(dimethylamino)acetyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID156512019
Molecular FormulaC23H30N4O5
Molecular Weight442.52 g/mol
Exact Mass442.22
IUPAC Name3-[6-[[(2R)-1-[2-(dimethylamino)acetyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCN(C)CC(=O)N1CCCC[C@@H]1COc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C23H30N4O5/c1-25(2)13-21(29)26-10-4-3-5-16(26)14-32-17-6-7-18-15(11-17)12-27(23(18)31)19-8-9-20(28)24-22(19)30/h6-7,11,16,19H,3-5,8-10,12-14H2,1-2H3,(H,24,28,30)/t16-,19?/m1/s1
InChIKeyKBGINTCLXHBYAD-VTBWFHPJSA-N
XLogP0.77
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 50.77
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-[3-oxo-6-[[(2R)-1-[(3S)-oxolane-3-carbonyl]piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156512014
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-[3-oxo-6-[[(2R)-1-(4-pentylbenzoyl)piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156512029
3-[6-[[(2R)-1-(2-methylpropyl)piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156500672
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-[[(2R)-1-(4-morpholin-4-ylbenzoyl)piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156512274
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-[6-[[(2R)-1-[3-(3-chlorophenyl)-2,2-dimethylpropanoyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167335517
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-[[(2S)-1-[(2S)-1-benzoylpyrrolidine-2-carbonyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156512015
[2-benzyl-3-[(2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]-3-oxopropylidene]-dimethylazanium
CID 156792142

Frequently Asked Questions

What is the IUPAC name of 3-[6-[[(2R)-1-[2-(dimethylamino)acetyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[[(2R)-1-[2-(dimethylamino)acetyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 156512019) is 3-[6-[[(2R)-1-[2-(dimethylamino)acetyl]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-(dimethylamino)acetyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[[(2R)-1-[2-(dimethylamino)acetyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is CN(C)CC(=O)N1CCCC[C@@H]1COc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 3-[6-[[(2R)-1-[2-(dimethylamino)acetyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is KBGINTCLXHBYAD-VTBWFHPJSA-N. The full InChI is InChI=1S/C23H30N4O5/c1-25(2)13-21(29)26-10-4-3-5-16(26)14-32-17-6-7-18-15(11-17)12-27(23(18)31)19-8-9-20(28)24-22(19)30/h6-7,11,16,19H,3-5,8-10,12-14H2,1-2H3,(H,24,28,30)/t16-,19?/m1/s1.
What are the key properties of 3-[6-[[(2R)-1-[2-(dimethylamino)acetyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[6-[[(2R)-1-[2-(dimethylamino)acetyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 442.52 g/mol, XLogP of 0.77, 6 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-(dimethylamino)acetyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 156512019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).