2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione

C22H25N3O3 — CID 10249134

IUPAC2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione
SMILESCOc1ccccc1N1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C22H25N3O3/c1-28-20-10-5-4-9-19(20)24-15-13-23(14-16-24)11-6-12-25-21(26)17-7-2-3-8-18(17)22(25)27/h2-5,7-10H,6,11-16H2,1H3
InChIKeyMDQWSMFPLDSLBV-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.50
Rot. Bonds6

About 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione

2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione (PubChem CID 10249134) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione
PubChem CID10249134
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione
SMILESCOc1ccccc1N1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C22H25N3O3/c1-28-20-10-5-4-9-19(20)24-15-13-23(14-16-24)11-6-12-25-21(26)17-7-2-3-8-18(17)22(25)27/h2-5,7-10H,6,11-16H2,1H3
InChIKeyMDQWSMFPLDSLBV-UHFFFAOYSA-N
XLogP2.50
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione with MolForge

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Related Compounds

Fluanisone
CID 15139
AR-C-239
CID 609483
GR-103691
CID 4302960
2-(4-(4-(2-Methoxyphenyl)-1-piperazinyl)butyl)-1H-isoindole-1,3(2H)-dione hydrobromide (1:1)
CID 107966
Nan 190
CID 4431
Etomidoline
CID 3309
2-(4-Methoxyphenyl)-1H-isoindole-1,3(2H)-dione
CID 250687
2-(4-Methoxy-phenyl)-2,3-dihydro-isoindol-1-one
CID 829359
3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(2-methoxyphenyl)propanamide
CID 721269
1-(4-(4-Phenyl-1-piperazinyl)butyl)indolin-2-one
CID 10667433
6-acetyl-3-(4-(4-(4-fluorophenyl)piperazin-1-yl)butyl)benzo(d)oxazol-2(3H)-one
CID 24763643
2-(2-Methoxyphenyl)-1,2-benzoselenazol-3-one
CID 88621311

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione (CID 10249134) is 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione is COc1ccccc1N1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1.
What is the InChIKey of 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione?
The InChIKey is MDQWSMFPLDSLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-28-20-10-5-4-9-19(20)24-15-13-23(14-16-24)11-6-12-25-21(26)17-7-2-3-8-18(17)22(25)27/h2-5,7-10H,6,11-16H2,1H3.
What are the key properties of 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione?
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione has a molecular weight of 379.46 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione is sourced from PubChem (CID 10249134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).