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

C22H25N3O3 — CID 51199587

IUPAC2-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione
SMILESCOc1cccc(N2CCN(CCCN3C(=O)c4ccccc4C3=O)CC2)c1
InChIInChI=1S/C22H25N3O3/c1-28-18-7-4-6-17(16-18)24-14-12-23(13-15-24)10-5-11-25-21(26)19-8-2-3-9-20(19)22(25)27/h2-4,6-9,16H,5,10-15H2,1H3
InChIKeyWWSKPWNVXNIOTO-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.50
Rot. Bonds6

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

2-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione (PubChem CID 51199587) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione
PubChem CID51199587
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name2-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione
SMILESCOc1cccc(N2CCN(CCCN3C(=O)c4ccccc4C3=O)CC2)c1
InChIInChI=1S/C22H25N3O3/c1-28-18-7-4-6-17(16-18)24-14-12-23(13-15-24)10-5-11-25-21(26)19-8-2-3-9-20(19)22(25)27/h2-4,6-9,16H,5,10-15H2,1H3
InChIKeyWWSKPWNVXNIOTO-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'}

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Related Compounds

Nan 190
CID 4431
2-(4-(4-(2-Methoxyphenyl)-1-piperazinyl)butyl)-1H-isoindole-1,3(2H)-dione hydrobromide (1:1)
CID 107966
2-(4-Methoxyphenyl)-1H-isoindole-1,3(2H)-dione
CID 250687
2-(4-Methoxy-phenyl)-2,3-dihydro-isoindol-1-one
CID 829359
Amphotalide
CID 71806
3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(2-methoxyphenyl)propanamide
CID 721269
1-(3-methoxyphenyl)-3-[4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]urea
CID 5329893
N-(3-Methoxy-phenyl)-4-(4-phenyl-piperazin-1-ylmethyl)-benzamide
CID 653541
2-[4-[4-(2,3-Dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]butyl]isoindole-1,3-dione
CID 10047814
4-Fluoro-2-(4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)isoindoline-1,3-dione
CID 11984570
2-[4-(dimethylamino)phenyl]-5-methoxy-3H-isoindol-1-one
CID 25266314
2-[4-(dimethylamino)-3-methoxyphenyl]-3H-isoindol-1-one
CID 25267010

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione (CID 51199587) is 2-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione is COc1cccc(N2CCN(CCCN3C(=O)c4ccccc4C3=O)CC2)c1.
What is the InChIKey of 2-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione?
The InChIKey is WWSKPWNVXNIOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-28-18-7-4-6-17(16-18)24-14-12-23(13-15-24)10-5-11-25-21(26)19-8-2-3-9-20(19)22(25)27/h2-4,6-9,16H,5,10-15H2,1H3.
What are the key properties of 2-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione?
2-[3-[4-(3-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-(3-methoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione is sourced from PubChem (CID 51199587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).