1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-(2-methylprop-2-enyl)pyrrolidine-2,5-dione

C23H33N3O3 — CID 11315538

IUPAC1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-(2-methylprop-2-enyl)pyrrolidine-2,5-dione
SMILESC=C(C)CC1C(=O)N(CCCN2CCN(c3ccccc3OC)CC2)C(=O)C1C
InChIInChI=1S/C23H33N3O3/c1-17(2)16-19-18(3)22(27)26(23(19)28)11-7-10-24-12-14-25(15-13-24)20-8-5-6-9-21(20)29-4/h5-6,8-9,18-19H,1,7,10-16H2,2-4H3
InChIKeyOGFKYWVSBVIHIS-UHFFFAOYSA-N
MW399.54 g/mol
LogP2.79
Rot. Bonds8

About 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-(2-methylprop-2-enyl)pyrrolidine-2,5-dione

1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-(2-methylprop-2-enyl)pyrrolidine-2,5-dione (PubChem CID 11315538) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-(2-methylprop-2-enyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-(2-methylprop-2-enyl)pyrrolidine-2,5-dione
PubChem CID11315538
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC Name1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-(2-methylprop-2-enyl)pyrrolidine-2,5-dione
SMILESC=C(C)CC1C(=O)N(CCCN2CCN(c3ccccc3OC)CC2)C(=O)C1C
InChIInChI=1S/C23H33N3O3/c1-17(2)16-19-18(3)22(27)26(23(19)28)11-7-10-24-12-14-25(15-13-24)20-8-5-6-9-21(20)29-4/h5-6,8-9,18-19H,1,7,10-16H2,2-4H3
InChIKeyOGFKYWVSBVIHIS-UHFFFAOYSA-N
XLogP2.79
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 11575967
1-[3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 11440314
2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]isoindole-1,3-dione
CID 139959232
3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,5-dimethyl-4a,9b-dihydropyrimido[5,4-b]indole-2,4-dione
CID 44586692
3-methyl-4-(propan-2-ylamino)-1-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione
CID 11430348
2-ethyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]phthalazine-1,4-dione
CID 110184124
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
(1R,2R,6R,7S)-1-ethoxy-4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-azatricyclo[5.2.2.02,6]undecane-3,5,8-trione
CID 11123714
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 47520269
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2-methoxyphenyl)piperazine
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1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine
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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-(2-methylprop-2-enyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-(2-methylprop-2-enyl)pyrrolidine-2,5-dione (CID 11315538) is 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-(2-methylprop-2-enyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-(2-methylprop-2-enyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-(2-methylprop-2-enyl)pyrrolidine-2,5-dione is C=C(C)CC1C(=O)N(CCCN2CCN(c3ccccc3OC)CC2)C(=O)C1C.
What is the InChIKey of 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-(2-methylprop-2-enyl)pyrrolidine-2,5-dione?
The InChIKey is OGFKYWVSBVIHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-17(2)16-19-18(3)22(27)26(23(19)28)11-7-10-24-12-14-25(15-13-24)20-8-5-6-9-21(20)29-4/h5-6,8-9,18-19H,1,7,10-16H2,2-4H3.
What are the key properties of 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-(2-methylprop-2-enyl)pyrrolidine-2,5-dione?
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-(2-methylprop-2-enyl)pyrrolidine-2,5-dione has a molecular weight of 399.54 g/mol, XLogP of 2.79, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-(2-methylprop-2-enyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 11315538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).