3-(4-phenylpiperazin-1-yl)-1-propan-2-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione

C26H31N3O3 — CID 110575696

IUPAC3-(4-phenylpiperazin-1-yl)-1-propan-2-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
SMILESCC(C)Oc1ccc(C2=C(N3CCN(c4ccccc4)CC3)C(=O)N(C(C)C)C2=O)cc1
InChIInChI=1S/C26H31N3O3/c1-18(2)29-25(30)23(20-10-12-22(13-11-20)32-19(3)4)24(26(29)31)28-16-14-27(15-17-28)21-8-6-5-7-9-21/h5-13,18-19H,14-17H2,1-4H3
InChIKeyMTNVFHDYIBZHBE-UHFFFAOYSA-N
MW433.55 g/mol
LogP3.78
Rot. Bonds6

About 3-(4-phenylpiperazin-1-yl)-1-propan-2-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione

3-(4-phenylpiperazin-1-yl)-1-propan-2-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione (PubChem CID 110575696) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is 3-(4-phenylpiperazin-1-yl)-1-propan-2-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-phenylpiperazin-1-yl)-1-propan-2-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
PubChem CID110575696
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC Name3-(4-phenylpiperazin-1-yl)-1-propan-2-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
SMILESCC(C)Oc1ccc(C2=C(N3CCN(c4ccccc4)CC3)C(=O)N(C(C)C)C2=O)cc1
InChIInChI=1S/C26H31N3O3/c1-18(2)29-25(30)23(20-10-12-22(13-11-20)32-19(3)4)24(26(29)31)28-16-14-27(15-17-28)21-8-6-5-7-9-21/h5-13,18-19H,14-17H2,1-4H3
InChIKeyMTNVFHDYIBZHBE-UHFFFAOYSA-N
XLogP3.78
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 53.78
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

3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-propan-2-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575690
3-(4-methylpiperidin-1-yl)-1-phenyl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575970
3-(4-ethylpiperazin-1-yl)-4-phenyl-1-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110561352
3-phenyl-1-propan-2-yl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110560331
1-methyl-3-morpholin-4-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575237
3-(4-fluorophenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]-1-propan-2-ylpyrrole-2,5-dione
CID 110544525
3-(4-benzylpiperazin-1-yl)-4-(4-chlorophenyl)-1-propan-2-ylpyrrole-2,5-dione
CID 110570303
3-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-propan-2-ylpyrrole-2,5-dione
CID 110544530
1-(3-methoxyphenyl)-3-piperidin-1-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110574844
3-(4-methylpiperazin-1-yl)-4-(4-propan-2-yloxyphenyl)-1-propylpyrrole-2,5-dione
CID 110575164
3-[4-(3-methylphenyl)piperazin-1-yl]-4-(4-nitrophenyl)-1-propan-2-ylpyrrole-2,5-dione
CID 110541934
1-[4-(dimethylamino)phenyl]-3-morpholin-4-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110574879

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylpiperazin-1-yl)-1-propan-2-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(4-phenylpiperazin-1-yl)-1-propan-2-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione (CID 110575696) is 3-(4-phenylpiperazin-1-yl)-1-propan-2-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-phenylpiperazin-1-yl)-1-propan-2-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(4-phenylpiperazin-1-yl)-1-propan-2-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione is CC(C)Oc1ccc(C2=C(N3CCN(c4ccccc4)CC3)C(=O)N(C(C)C)C2=O)cc1.
What is the InChIKey of 3-(4-phenylpiperazin-1-yl)-1-propan-2-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione?
The InChIKey is MTNVFHDYIBZHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-18(2)29-25(30)23(20-10-12-22(13-11-20)32-19(3)4)24(26(29)31)28-16-14-27(15-17-28)21-8-6-5-7-9-21/h5-13,18-19H,14-17H2,1-4H3.
What are the key properties of 3-(4-phenylpiperazin-1-yl)-1-propan-2-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione?
3-(4-phenylpiperazin-1-yl)-1-propan-2-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione has a molecular weight of 433.55 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylpiperazin-1-yl)-1-propan-2-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110575696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).