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

C24H30N4O3 — CID 44598684

IUPAC5-(dimethylamino)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione
SMILESCOc1ccccc1N1CCN(CCCN2C(=O)c3ccc(N(C)C)cc3C2=O)CC1
InChIInChI=1S/C24H30N4O3/c1-25(2)18-9-10-19-20(17-18)24(30)28(23(19)29)12-6-11-26-13-15-27(16-14-26)21-7-4-5-8-22(21)31-3/h4-5,7-10,17H,6,11-16H2,1-3H3
InChIKeyUHNCWRZVAFFHBJ-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.57
Rot. Bonds7

About 5-(dimethylamino)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione

5-(dimethylamino)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione (PubChem CID 44598684) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 5-(dimethylamino)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name5-(dimethylamino)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione
PubChem CID44598684
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name5-(dimethylamino)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione
SMILESCOc1ccccc1N1CCN(CCCN2C(=O)c3ccc(N(C)C)cc3C2=O)CC1
InChIInChI=1S/C24H30N4O3/c1-25(2)18-9-10-19-20(17-18)24(30)28(23(19)29)12-6-11-26-13-15-27(16-14-26)21-7-4-5-8-22(21)31-3/h4-5,7-10,17H,6,11-16H2,1-3H3
InChIKeyUHNCWRZVAFFHBJ-UHFFFAOYSA-N
XLogP2.57
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(dimethylamino)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione with MolForge

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Related Compounds

AR-C-239
CID 609483
Nan 190
CID 4431
2-(4-(4-(2-Methoxyphenyl)-1-piperazinyl)butyl)-1H-isoindole-1,3(2H)-dione hydrobromide (1:1)
CID 107966
3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(2-methoxyphenyl)propanamide
CID 721269
3-(1-Piperidinopropyl)-6-propanoyl benzoxazolin-2-one, 6
CID 10313682
1-(4-(4-Phenyl-1-piperazinyl)butyl)indolin-2-one
CID 10667433
N-(2-Methoxy-phenyl)-N-(1,3,4-trioxo-1,2,3,4-tetrahydro-isoquinolin-6-yl)-succinamide
CID 11646889
6-acetyl-3-(4-(4-(4-fluorophenyl)piperazin-1-yl)butyl)benzo(d)oxazol-2(3H)-one
CID 24763643
2-(4-methylphenyl)-1,3-dioxo-N-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]isoindole-5-carboxamide
CID 10530491
N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 10792898
4-Fluoro-2-(4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)isoindoline-1,3-dione
CID 11984570
2-[4-(dimethylamino)-3-methoxyphenyl]-3H-isoindol-1-one
CID 25267010

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione?
The IUPAC name of 5-(dimethylamino)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione (CID 44598684) is 5-(dimethylamino)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione.
What is the SMILES notation for 5-(dimethylamino)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione?
The canonical SMILES for 5-(dimethylamino)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione is COc1ccccc1N1CCN(CCCN2C(=O)c3ccc(N(C)C)cc3C2=O)CC1.
What is the InChIKey of 5-(dimethylamino)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione?
The InChIKey is UHNCWRZVAFFHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-25(2)18-9-10-19-20(17-18)24(30)28(23(19)29)12-6-11-26-13-15-27(16-14-26)21-7-4-5-8-22(21)31-3/h4-5,7-10,17H,6,11-16H2,1-3H3.
What are the key properties of 5-(dimethylamino)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione?
5-(dimethylamino)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione has a molecular weight of 422.53 g/mol, XLogP of 2.57, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione is sourced from PubChem (CID 44598684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).