3-[5-[[1-(3-hydroxypyrrolidin-3-yl)ethylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C20H26N4O4 — CID 167721096

IUPAC3-[5-[[1-(3-hydroxypyrrolidin-3-yl)ethylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCC(NCc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2)C1(O)CCNC1
InChIInChI=1S/C20H26N4O4/c1-12(20(28)6-7-21-11-20)22-9-13-2-3-14-10-24(19(27)15(14)8-13)16-4-5-17(25)23-18(16)26/h2-3,8,12,16,21-22,28H,4-7,9-11H2,1H3,(H,23,25,26)
InChIKeyOKFIUAOVLNTHGL-UHFFFAOYSA-N
MW386.45 g/mol
LogP-0.35
Rot. Bonds5

About 3-[5-[[1-(3-hydroxypyrrolidin-3-yl)ethylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[5-[[1-(3-hydroxypyrrolidin-3-yl)ethylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167721096) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is 3-[5-[[1-(3-hydroxypyrrolidin-3-yl)ethylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-[[1-(3-hydroxypyrrolidin-3-yl)ethylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID167721096
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Name3-[5-[[1-(3-hydroxypyrrolidin-3-yl)ethylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCC(NCc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2)C1(O)CCNC1
InChIInChI=1S/C20H26N4O4/c1-12(20(28)6-7-21-11-20)22-9-13-2-3-14-10-24(19(27)15(14)8-13)16-4-5-17(25)23-18(16)26/h2-3,8,12,16,21-22,28H,4-7,9-11H2,1H3,(H,23,25,26)
InChIKeyOKFIUAOVLNTHGL-UHFFFAOYSA-N
XLogP-0.35
TPSA110.77 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 5-0.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[5-[[1-(3-hydroxypyrrolidin-3-yl)ethylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

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Related Compounds

3-[5-[[1-(4-hydroxypiperidin-4-yl)ethylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167735807
3-[5-[[1-(methylamino)propan-2-ylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167733544
3-[3-oxo-5-[(1-piperidin-2-ylethylamino)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167742052
3-[5-[[[3-(methoxymethyl)pyrrolidin-3-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167714397
3-[5-[[2-(3-hydroxypiperidin-3-yl)ethylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167738568
3-[5-[[(4-ethylpiperidin-4-yl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167741296
3-[5-[[[4-(methoxymethyl)piperidin-4-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167739168
3-[5-[[(2,2-dimethylpiperidin-3-yl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167726529
3-[5-[(3-azaspiro[5.5]undecan-9-ylmethylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167730885
3-[5-[[2-(2-hydroxypropylamino)ethylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167732964
3-[5-[[(1-aminocycloheptyl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167725922
3-[5-[[(2-amino-1-cyclopropylethyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167727087

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[1-(3-hydroxypyrrolidin-3-yl)ethylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[5-[[1-(3-hydroxypyrrolidin-3-yl)ethylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167721096) is 3-[5-[[1-(3-hydroxypyrrolidin-3-yl)ethylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-[[1-(3-hydroxypyrrolidin-3-yl)ethylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-[[1-(3-hydroxypyrrolidin-3-yl)ethylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is CC(NCc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2)C1(O)CCNC1.
What is the InChIKey of 3-[5-[[1-(3-hydroxypyrrolidin-3-yl)ethylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is OKFIUAOVLNTHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-12(20(28)6-7-21-11-20)22-9-13-2-3-14-10-24(19(27)15(14)8-13)16-4-5-17(25)23-18(16)26/h2-3,8,12,16,21-22,28H,4-7,9-11H2,1H3,(H,23,25,26).
What are the key properties of 3-[5-[[1-(3-hydroxypyrrolidin-3-yl)ethylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[5-[[1-(3-hydroxypyrrolidin-3-yl)ethylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 386.45 g/mol, XLogP of -0.35, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[1-(3-hydroxypyrrolidin-3-yl)ethylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167721096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).