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

C25H28N2O4 — CID 110574844

IUPAC1-(3-methoxyphenyl)-3-piperidin-1-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
SMILESCOc1cccc(N2C(=O)C(c3ccc(OC(C)C)cc3)=C(N3CCCCC3)C2=O)c1
InChIInChI=1S/C25H28N2O4/c1-17(2)31-20-12-10-18(11-13-20)22-23(26-14-5-4-6-15-26)25(29)27(24(22)28)19-8-7-9-21(16-19)30-3/h7-13,16-17H,4-6,14-15H2,1-3H3
InChIKeyHHISSSFICFWSKA-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.25
Rot. Bonds6

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

1-(3-methoxyphenyl)-3-piperidin-1-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione (PubChem CID 110574844) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-piperidin-1-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-piperidin-1-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
PubChem CID110574844
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC Name1-(3-methoxyphenyl)-3-piperidin-1-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
SMILESCOc1cccc(N2C(=O)C(c3ccc(OC(C)C)cc3)=C(N3CCCCC3)C2=O)c1
InChIInChI=1S/C25H28N2O4/c1-17(2)31-20-12-10-18(11-13-20)22-23(26-14-5-4-6-15-26)25(29)27(24(22)28)19-8-7-9-21(16-19)30-3/h7-13,16-17H,4-6,14-15H2,1-3H3
InChIKeyHHISSSFICFWSKA-UHFFFAOYSA-N
XLogP4.25
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.25
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

1-(3-methoxyphenyl)-3-[4-(2-methylpropoxy)phenyl]-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110550976
1-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110558135
3-(4-methoxyphenyl)-1-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110557556
3-hydroxy-1-(3-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110582215
1-(3,5-dichlorophenyl)-3-(4-methoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110557226
1-(3,5-dimethoxyphenyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione
CID 110558417
1-(3-methoxyphenyl)-3-pyrrolidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552038
1-(3-fluorophenyl)-3-(3-methylpiperidin-1-yl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575723
3-(4-ethylpiperazin-1-yl)-1-(4-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575861
3-(4-methylpiperidin-1-yl)-1-phenyl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575970
1-(3-fluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575731
1-(3-methoxyphenyl)-3-phenylsulfanyl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110574859

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-piperidin-1-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(3-methoxyphenyl)-3-piperidin-1-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione (CID 110574844) is 1-(3-methoxyphenyl)-3-piperidin-1-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-piperidin-1-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(3-methoxyphenyl)-3-piperidin-1-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione is COc1cccc(N2C(=O)C(c3ccc(OC(C)C)cc3)=C(N3CCCCC3)C2=O)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-piperidin-1-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione?
The InChIKey is HHISSSFICFWSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-17(2)31-20-12-10-18(11-13-20)22-23(26-14-5-4-6-15-26)25(29)27(24(22)28)19-8-7-9-21(16-19)30-3/h7-13,16-17H,4-6,14-15H2,1-3H3.
What are the key properties of 1-(3-methoxyphenyl)-3-piperidin-1-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione?
1-(3-methoxyphenyl)-3-piperidin-1-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione has a molecular weight of 420.51 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-piperidin-1-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110574844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).