2-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxylic acid

C16H18N2O5 — CID 2148149

IUPAC2-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(=O)N(CCCN1CCOCC1)C2=O
InChIInChI=1S/C16H18N2O5/c19-14-12-3-2-11(16(21)22)10-13(12)15(20)18(14)5-1-4-17-6-8-23-9-7-17/h2-3,10H,1,4-9H2,(H,21,22)
InChIKeyCQDPTMSXUOMWIE-UHFFFAOYSA-N
MW318.33 g/mol
LogP0.70
Rot. Bonds5

About 2-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxylic acid

2-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxylic acid (PubChem CID 2148149) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxylic acid
PubChem CID2148149
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Name2-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(=O)N(CCCN1CCOCC1)C2=O
InChIInChI=1S/C16H18N2O5/c19-14-12-3-2-11(16(21)22)10-13(12)15(20)18(14)5-1-4-17-6-8-23-9-7-17/h2-3,10H,1,4-9H2,(H,21,22)
InChIKeyCQDPTMSXUOMWIE-UHFFFAOYSA-N
XLogP0.70
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(12-morpholin-4-yldodecyl)isoindole-1,3-dione
CID 56974133
N-[2-(4-fluorophenyl)ethyl]-2-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 25488068
2-[3-(dimethylamino)propyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 9079192
1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108889443
N-[4-(2-morpholin-4-ylethyl)phenyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 55905919
2-(2-cyclopentylethyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 60919511
6-hydroxy-2-(3-morpholin-4-ylpropyl)benzo[de]isoquinoline-1,3-dione
CID 6125753
5-[(4-fluorophenyl)methoxy]-2-(3-morpholin-4-ylpropyl)isoindole-1,3-dione
CID 22397082
1,3-dioxo-2-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carboxylic acid
CID 789609
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108874905
2-butyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]isoindole-1,3-dione
CID 112799563
2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 20750486

Frequently Asked Questions

What is the IUPAC name of 2-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxylic acid?
The IUPAC name of 2-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxylic acid (CID 2148149) is 2-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxylic acid.
What is the SMILES notation for 2-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxylic acid?
The canonical SMILES for 2-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxylic acid is O=C(O)c1ccc2c(c1)C(=O)N(CCCN1CCOCC1)C2=O.
What is the InChIKey of 2-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxylic acid?
The InChIKey is CQDPTMSXUOMWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5/c19-14-12-3-2-11(16(21)22)10-13(12)15(20)18(14)5-1-4-17-6-8-23-9-7-17/h2-3,10H,1,4-9H2,(H,21,22).
What are the key properties of 2-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxylic acid?
2-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxylic acid has a molecular weight of 318.33 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxylic acid is sourced from PubChem (CID 2148149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).