3-(4-methoxyphenyl)-4-piperidin-1-yl-1-propylpyrrole-2,5-dione

C19H24N2O3 — CID 110556267

IUPAC3-(4-methoxyphenyl)-4-piperidin-1-yl-1-propylpyrrole-2,5-dione
SMILESCCCN1C(=O)C(c2ccc(OC)cc2)=C(N2CCCCC2)C1=O
InChIInChI=1S/C19H24N2O3/c1-3-11-21-18(22)16(14-7-9-15(24-2)10-8-14)17(19(21)23)20-12-5-4-6-13-20/h7-10H,3-6,11-13H2,1-2H3
InChIKeyNDPMOXXAAMWVDS-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.67
Rot. Bonds5

About 3-(4-methoxyphenyl)-4-piperidin-1-yl-1-propylpyrrole-2,5-dione

3-(4-methoxyphenyl)-4-piperidin-1-yl-1-propylpyrrole-2,5-dione (PubChem CID 110556267) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-4-piperidin-1-yl-1-propylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-4-piperidin-1-yl-1-propylpyrrole-2,5-dione
PubChem CID110556267
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name3-(4-methoxyphenyl)-4-piperidin-1-yl-1-propylpyrrole-2,5-dione
SMILESCCCN1C(=O)C(c2ccc(OC)cc2)=C(N2CCCCC2)C1=O
InChIInChI=1S/C19H24N2O3/c1-3-11-21-18(22)16(14-7-9-15(24-2)10-8-14)17(19(21)23)20-12-5-4-6-13-20/h7-10H,3-6,11-13H2,1-2H3
InChIKeyNDPMOXXAAMWVDS-UHFFFAOYSA-N
XLogP2.67
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.67
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-hexyl-3-(4-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110556756
3-piperidin-1-yl-4-(4-propoxyphenyl)-1-propylpyrrole-2,5-dione
CID 110576662
1-[2-(4-methoxyphenyl)ethyl]-3-piperidin-1-yl-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110576381
3-(4-methoxyphenyl)-1-methyl-4-piperidin-1-ylpyrrole-2,5-dione
CID 110556345
3-[3-(hydroxymethyl)piperidin-1-yl]-4-(4-methoxyphenyl)-1-propylpyrrole-2,5-dione
CID 110556296
3-(4-fluorophenyl)-1-propyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110543715
1-[2-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110555785
3-(4-methoxyphenyl)-1-propyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110556282
3-(4-methoxyphenyl)-4-morpholin-4-yl-1-octylpyrrole-2,5-dione
CID 110556960
1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110555914
1-(2-methoxyethyl)-3-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110556405
3-(4-ethoxyphenyl)-1-(3-methoxypropyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110546843

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-4-piperidin-1-yl-1-propylpyrrole-2,5-dione?
The IUPAC name of 3-(4-methoxyphenyl)-4-piperidin-1-yl-1-propylpyrrole-2,5-dione (CID 110556267) is 3-(4-methoxyphenyl)-4-piperidin-1-yl-1-propylpyrrole-2,5-dione.
What is the SMILES notation for 3-(4-methoxyphenyl)-4-piperidin-1-yl-1-propylpyrrole-2,5-dione?
The canonical SMILES for 3-(4-methoxyphenyl)-4-piperidin-1-yl-1-propylpyrrole-2,5-dione is CCCN1C(=O)C(c2ccc(OC)cc2)=C(N2CCCCC2)C1=O.
What is the InChIKey of 3-(4-methoxyphenyl)-4-piperidin-1-yl-1-propylpyrrole-2,5-dione?
The InChIKey is NDPMOXXAAMWVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-3-11-21-18(22)16(14-7-9-15(24-2)10-8-14)17(19(21)23)20-12-5-4-6-13-20/h7-10H,3-6,11-13H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-4-piperidin-1-yl-1-propylpyrrole-2,5-dione?
3-(4-methoxyphenyl)-4-piperidin-1-yl-1-propylpyrrole-2,5-dione has a molecular weight of 328.41 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-4-piperidin-1-yl-1-propylpyrrole-2,5-dione is sourced from PubChem (CID 110556267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).