(3R)-3-[4-(furan-2-ylmethylamino)-1-hydroxyisoindol-2-yl]piperidine-2,6-dione

C18H17N3O4 — CID 91575075

IUPAC(3R)-3-[4-(furan-2-ylmethylamino)-1-hydroxyisoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CC[C@@H](n2cc3c(NCc4ccco4)cccc3c2O)C(=O)N1
InChIInChI=1S/C18H17N3O4/c22-16-7-6-15(17(23)20-16)21-10-13-12(18(21)24)4-1-5-14(13)19-9-11-3-2-8-25-11/h1-5,8,10,15,19,24H,6-7,9H2,(H,20,22,23)/t15-/m1/s1
InChIKeyNHTZKHMHXPABFP-OAHLLOKOSA-N
MW339.35 g/mol
LogP2.53
Rot. Bonds4

About (3R)-3-[4-(furan-2-ylmethylamino)-1-hydroxyisoindol-2-yl]piperidine-2,6-dione

(3R)-3-[4-(furan-2-ylmethylamino)-1-hydroxyisoindol-2-yl]piperidine-2,6-dione (PubChem CID 91575075) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is (3R)-3-[4-(furan-2-ylmethylamino)-1-hydroxyisoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name(3R)-3-[4-(furan-2-ylmethylamino)-1-hydroxyisoindol-2-yl]piperidine-2,6-dione
PubChem CID91575075
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name(3R)-3-[4-(furan-2-ylmethylamino)-1-hydroxyisoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CC[C@@H](n2cc3c(NCc4ccco4)cccc3c2O)C(=O)N1
InChIInChI=1S/C18H17N3O4/c22-16-7-6-15(17(23)20-16)21-10-13-12(18(21)24)4-1-5-14(13)19-9-11-3-2-8-25-11/h1-5,8,10,15,19,24H,6-7,9H2,(H,20,22,23)/t15-/m1/s1
InChIKeyNHTZKHMHXPABFP-OAHLLOKOSA-N
XLogP2.53
TPSA96.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3R)-3-[4-(furan-2-ylmethylamino)-1-hydroxyisoindol-2-yl]piperidine-2,6-dione with MolForge

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindole-4-carbonitrile
CID 91259268
1-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-4-yl]methyl]-3-(4-methoxyphenyl)urea
CID 91101971
N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-4-yl]methyl]-3-methoxybenzamide
CID 91476634
1-[3-(cyanomethyl)phenyl]-3-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-4-yl]methyl]urea
CID 123559413
2-(3-chlorophenyl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]acetamide
CID 91539022
5-(furan-2-ylmethylamino)piperidin-2-one
CID 63378593
5-[[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]amino]methyl]furan-2-carboxylic acid
CID 142156257
3-(3-methylindol-1-yl)piperidine-2,6-dione
CID 138467080
3-[(naphthalen-1-ylamino)methyl]piperidine-2,6-dione
CID 69088196
3-(4-bromo-1-oxoisoquinolin-2-yl)piperidine-2,6-dione
CID 175556384
1-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-3-[4-(2-pyridin-4-ylethyl)phenyl]urea
CID 90776785
4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]benzamide
CID 175730464

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-(furan-2-ylmethylamino)-1-hydroxyisoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of (3R)-3-[4-(furan-2-ylmethylamino)-1-hydroxyisoindol-2-yl]piperidine-2,6-dione (CID 91575075) is (3R)-3-[4-(furan-2-ylmethylamino)-1-hydroxyisoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for (3R)-3-[4-(furan-2-ylmethylamino)-1-hydroxyisoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for (3R)-3-[4-(furan-2-ylmethylamino)-1-hydroxyisoindol-2-yl]piperidine-2,6-dione is O=C1CC[C@@H](n2cc3c(NCc4ccco4)cccc3c2O)C(=O)N1.
What is the InChIKey of (3R)-3-[4-(furan-2-ylmethylamino)-1-hydroxyisoindol-2-yl]piperidine-2,6-dione?
The InChIKey is NHTZKHMHXPABFP-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H17N3O4/c22-16-7-6-15(17(23)20-16)21-10-13-12(18(21)24)4-1-5-14(13)19-9-11-3-2-8-25-11/h1-5,8,10,15,19,24H,6-7,9H2,(H,20,22,23)/t15-/m1/s1.
What are the key properties of (3R)-3-[4-(furan-2-ylmethylamino)-1-hydroxyisoindol-2-yl]piperidine-2,6-dione?
(3R)-3-[4-(furan-2-ylmethylamino)-1-hydroxyisoindol-2-yl]piperidine-2,6-dione has a molecular weight of 339.35 g/mol, XLogP of 2.53, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-(furan-2-ylmethylamino)-1-hydroxyisoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 91575075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).