3-phenyl-4-piperidin-1-yl-1-(3-propoxyphenyl)pyrrole-2,5-dione

C24H26N2O3 — CID 110558320

IUPAC3-phenyl-4-piperidin-1-yl-1-(3-propoxyphenyl)pyrrole-2,5-dione
SMILESCCCOc1cccc(N2C(=O)C(c3ccccc3)=C(N3CCCCC3)C2=O)c1
InChIInChI=1S/C24H26N2O3/c1-2-16-29-20-13-9-12-19(17-20)26-23(27)21(18-10-5-3-6-11-18)22(24(26)28)25-14-7-4-8-15-25/h3,5-6,9-13,17H,2,4,7-8,14-16H2,1H3
InChIKeyBLPCLBZUQSXDBQ-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.25
Rot. Bonds6

About 3-phenyl-4-piperidin-1-yl-1-(3-propoxyphenyl)pyrrole-2,5-dione

3-phenyl-4-piperidin-1-yl-1-(3-propoxyphenyl)pyrrole-2,5-dione (PubChem CID 110558320) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 3-phenyl-4-piperidin-1-yl-1-(3-propoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-phenyl-4-piperidin-1-yl-1-(3-propoxyphenyl)pyrrole-2,5-dione
PubChem CID110558320
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name3-phenyl-4-piperidin-1-yl-1-(3-propoxyphenyl)pyrrole-2,5-dione
SMILESCCCOc1cccc(N2C(=O)C(c3ccccc3)=C(N3CCCCC3)C2=O)c1
InChIInChI=1S/C24H26N2O3/c1-2-16-29-20-13-9-12-19(17-20)26-23(27)21(18-10-5-3-6-11-18)22(24(26)28)25-14-7-4-8-15-25/h3,5-6,9-13,17H,2,4,7-8,14-16H2,1H3
InChIKeyBLPCLBZUQSXDBQ-UHFFFAOYSA-N
XLogP4.25
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethoxyphenyl)-3-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110558487
3-(4-methylpiperidin-1-yl)-4-phenyl-1-(3-propoxyphenyl)pyrrole-2,5-dione
CID 110558321
1-(3-methylphenyl)-3-piperidin-1-yl-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577543
1-(3-fluorophenyl)-3-(4-propoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110577233
3-(2-methoxyphenyl)-1-(3-propoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110565180
3-(4-chlorophenyl)-4-(4-methylpiperazin-1-yl)-1-(3-propoxyphenyl)pyrrole-2,5-dione
CID 110568997
3-(4-ethoxyphenyl)-4-(4-methylpiperidin-1-yl)-1-(3-propoxyphenyl)pyrrole-2,5-dione
CID 110546079
1,3-diphenyl-4-piperidin-1-ylpyrrole-2,5-dione
CID 22728644
1-(3,4-diethoxyphenyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione
CID 110561726
3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(4-methylphenyl)-1-(3-propoxyphenyl)pyrrole-2,5-dione
CID 110571504
1-(4-methylphenyl)-3-(4-propoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110577575
3-morpholin-4-yl-1-phenyl-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577483

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-piperidin-1-yl-1-(3-propoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-phenyl-4-piperidin-1-yl-1-(3-propoxyphenyl)pyrrole-2,5-dione (CID 110558320) is 3-phenyl-4-piperidin-1-yl-1-(3-propoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-phenyl-4-piperidin-1-yl-1-(3-propoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-phenyl-4-piperidin-1-yl-1-(3-propoxyphenyl)pyrrole-2,5-dione is CCCOc1cccc(N2C(=O)C(c3ccccc3)=C(N3CCCCC3)C2=O)c1.
What is the InChIKey of 3-phenyl-4-piperidin-1-yl-1-(3-propoxyphenyl)pyrrole-2,5-dione?
The InChIKey is BLPCLBZUQSXDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-2-16-29-20-13-9-12-19(17-20)26-23(27)21(18-10-5-3-6-11-18)22(24(26)28)25-14-7-4-8-15-25/h3,5-6,9-13,17H,2,4,7-8,14-16H2,1H3.
What are the key properties of 3-phenyl-4-piperidin-1-yl-1-(3-propoxyphenyl)pyrrole-2,5-dione?
3-phenyl-4-piperidin-1-yl-1-(3-propoxyphenyl)pyrrole-2,5-dione has a molecular weight of 390.48 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-piperidin-1-yl-1-(3-propoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110558320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).