4-amino-2-[(3R)-1-[hydroxy(methoxy)methyl]piperidin-3-yl]isoindole-1,3-dione

C15H19N3O4 — CID 178083167

IUPAC4-amino-2-[(3R)-1-[hydroxy(methoxy)methyl]piperidin-3-yl]isoindole-1,3-dione
SMILESCOC(O)N1CCC[C@@H](N2C(=O)c3cccc(N)c3C2=O)C1
InChIInChI=1S/C15H19N3O4/c1-22-15(21)17-7-3-4-9(8-17)18-13(19)10-5-2-6-11(16)12(10)14(18)20/h2,5-6,9,15,21H,3-4,7-8,16H2,1H3/t9-,15?/m1/s1
InChIKeyYGCJNHGGOPMSOS-WXMRUQJCSA-N
MW305.33 g/mol
LogP0.25
Rot. Bonds3

About 4-amino-2-[(3R)-1-[hydroxy(methoxy)methyl]piperidin-3-yl]isoindole-1,3-dione

4-amino-2-[(3R)-1-[hydroxy(methoxy)methyl]piperidin-3-yl]isoindole-1,3-dione (PubChem CID 178083167) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 4-amino-2-[(3R)-1-[hydroxy(methoxy)methyl]piperidin-3-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name4-amino-2-[(3R)-1-[hydroxy(methoxy)methyl]piperidin-3-yl]isoindole-1,3-dione
PubChem CID178083167
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name4-amino-2-[(3R)-1-[hydroxy(methoxy)methyl]piperidin-3-yl]isoindole-1,3-dione
SMILESCOC(O)N1CCC[C@@H](N2C(=O)c3cccc(N)c3C2=O)C1
InChIInChI=1S/C15H19N3O4/c1-22-15(21)17-7-3-4-9(8-17)18-13(19)10-5-2-6-11(16)12(10)14(18)20/h2,5-6,9,15,21H,3-4,7-8,16H2,1H3/t9-,15?/m1/s1
InChIKeyYGCJNHGGOPMSOS-WXMRUQJCSA-N
XLogP0.25
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]isoindole-1,3-dione
CID 178083171
4-amino-2-[(3R)-1-pyridin-2-ylpiperidin-3-yl]isoindole-1,3-dione
CID 178083138
4-amino-2-(4,4-dimethylcycloheptyl)isoindole-1,3-dione
CID 65084134
4-amino-2-(4-methylcyclohexyl)isoindole-1,3-dione
CID 43209492
4-amino-2-[(3S)-7-methoxy-2-oxoazepan-3-yl]isoindole-1,3-dione
CID 145194146
2-(1-ethylpiperidin-3-yl)isoindole-1,3-dione
CID 21405570
2-cyclohexyl-4-piperidin-1-ylisoindole-1,3-dione
CID 139204663
4-chloro-2-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]isoindole-1,3-dione
CID 113082863
2-[3-(4-amino-1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]ethyl propanoate
CID 129190490
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methanamine
CID 160955629
4-amino-2-[(1R)-4-methylidene-2-oxocycloheptyl]isoindole-1,3-dione
CID 157438248
2-[3-(4-amino-1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]ethyl (2S)-2-amino-3-methylbutanoate
CID 89295602

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(3R)-1-[hydroxy(methoxy)methyl]piperidin-3-yl]isoindole-1,3-dione?
The IUPAC name of 4-amino-2-[(3R)-1-[hydroxy(methoxy)methyl]piperidin-3-yl]isoindole-1,3-dione (CID 178083167) is 4-amino-2-[(3R)-1-[hydroxy(methoxy)methyl]piperidin-3-yl]isoindole-1,3-dione.
What is the SMILES notation for 4-amino-2-[(3R)-1-[hydroxy(methoxy)methyl]piperidin-3-yl]isoindole-1,3-dione?
The canonical SMILES for 4-amino-2-[(3R)-1-[hydroxy(methoxy)methyl]piperidin-3-yl]isoindole-1,3-dione is COC(O)N1CCC[C@@H](N2C(=O)c3cccc(N)c3C2=O)C1.
What is the InChIKey of 4-amino-2-[(3R)-1-[hydroxy(methoxy)methyl]piperidin-3-yl]isoindole-1,3-dione?
The InChIKey is YGCJNHGGOPMSOS-WXMRUQJCSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-22-15(21)17-7-3-4-9(8-17)18-13(19)10-5-2-6-11(16)12(10)14(18)20/h2,5-6,9,15,21H,3-4,7-8,16H2,1H3/t9-,15?/m1/s1.
What are the key properties of 4-amino-2-[(3R)-1-[hydroxy(methoxy)methyl]piperidin-3-yl]isoindole-1,3-dione?
4-amino-2-[(3R)-1-[hydroxy(methoxy)methyl]piperidin-3-yl]isoindole-1,3-dione has a molecular weight of 305.33 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(3R)-1-[hydroxy(methoxy)methyl]piperidin-3-yl]isoindole-1,3-dione is sourced from PubChem (CID 178083167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).