3-(4-methoxyphenyl)-1-methyl-4-piperidin-1-ylpyrrole-2,5-dione

C17H20N2O3 — CID 110556345

IUPAC3-(4-methoxyphenyl)-1-methyl-4-piperidin-1-ylpyrrole-2,5-dione
SMILESCOc1ccc(C2=C(N3CCCCC3)C(=O)N(C)C2=O)cc1
InChIInChI=1S/C17H20N2O3/c1-18-16(20)14(12-6-8-13(22-2)9-7-12)15(17(18)21)19-10-4-3-5-11-19/h6-9H,3-5,10-11H2,1-2H3
InChIKeyYQGMPMHZIGIEKC-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.89
Rot. Bonds3

About 3-(4-methoxyphenyl)-1-methyl-4-piperidin-1-ylpyrrole-2,5-dione

3-(4-methoxyphenyl)-1-methyl-4-piperidin-1-ylpyrrole-2,5-dione (PubChem CID 110556345) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-methyl-4-piperidin-1-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-methyl-4-piperidin-1-ylpyrrole-2,5-dione
PubChem CID110556345
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name3-(4-methoxyphenyl)-1-methyl-4-piperidin-1-ylpyrrole-2,5-dione
SMILESCOc1ccc(C2=C(N3CCCCC3)C(=O)N(C)C2=O)cc1
InChIInChI=1S/C17H20N2O3/c1-18-16(20)14(12-6-8-13(22-2)9-7-12)15(17(18)21)19-10-4-3-5-11-19/h6-9H,3-5,10-11H2,1-2H3
InChIKeyYQGMPMHZIGIEKC-UHFFFAOYSA-N
XLogP1.89
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.89
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

3-(4-methoxyphenyl)-1-methyl-4-morpholin-4-ylpyrrole-2,5-dione
CID 110556352
3-(4-methoxyphenyl)-4-piperidin-1-yl-1-propylpyrrole-2,5-dione
CID 110556267
1-cyclohexyl-3-(4-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110556472
3-(4-methoxyphenyl)-1-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110557556
1-(3,5-dichlorophenyl)-3-(4-methoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110557226
1-hexyl-3-(4-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110556756
1-[2-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110555785
3-(4-methoxyphenyl)-1-naphthalen-1-yl-4-piperidin-1-ylpyrrole-2,5-dione
CID 110557771
1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110555914
1-[2-(4-methoxyphenyl)ethyl]-3-piperidin-1-yl-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110576381
3-(4-methoxyphenyl)-1-naphthalen-1-yl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110557775
3-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110556096

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-methyl-4-piperidin-1-ylpyrrole-2,5-dione?
The IUPAC name of 3-(4-methoxyphenyl)-1-methyl-4-piperidin-1-ylpyrrole-2,5-dione (CID 110556345) is 3-(4-methoxyphenyl)-1-methyl-4-piperidin-1-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-methyl-4-piperidin-1-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(4-methoxyphenyl)-1-methyl-4-piperidin-1-ylpyrrole-2,5-dione is COc1ccc(C2=C(N3CCCCC3)C(=O)N(C)C2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-methyl-4-piperidin-1-ylpyrrole-2,5-dione?
The InChIKey is YQGMPMHZIGIEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-18-16(20)14(12-6-8-13(22-2)9-7-12)15(17(18)21)19-10-4-3-5-11-19/h6-9H,3-5,10-11H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-1-methyl-4-piperidin-1-ylpyrrole-2,5-dione?
3-(4-methoxyphenyl)-1-methyl-4-piperidin-1-ylpyrrole-2,5-dione has a molecular weight of 300.36 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-methyl-4-piperidin-1-ylpyrrole-2,5-dione is sourced from PubChem (CID 110556345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).