3-(2-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-1-pentylpyrrole-2,5-dione

C22H30N2O3 — CID 110565755

IUPAC3-(2-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-1-pentylpyrrole-2,5-dione
SMILESCCCCCN1C(=O)C(c2ccccc2OC)=C(N2CCCC(C)C2)C1=O
InChIInChI=1S/C22H30N2O3/c1-4-5-8-14-24-21(25)19(17-11-6-7-12-18(17)27-3)20(22(24)26)23-13-9-10-16(2)15-23/h6-7,11-12,16H,4-5,8-10,13-15H2,1-3H3
InChIKeyRCFQNMOAIHKDMX-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.70
Rot. Bonds7

About 3-(2-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-1-pentylpyrrole-2,5-dione

3-(2-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-1-pentylpyrrole-2,5-dione (PubChem CID 110565755) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-1-pentylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-1-pentylpyrrole-2,5-dione
PubChem CID110565755
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name3-(2-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-1-pentylpyrrole-2,5-dione
SMILESCCCCCN1C(=O)C(c2ccccc2OC)=C(N2CCCC(C)C2)C1=O
InChIInChI=1S/C22H30N2O3/c1-4-5-8-14-24-21(25)19(17-11-6-7-12-18(17)27-3)20(22(24)26)23-13-9-10-16(2)15-23/h6-7,11-12,16H,4-5,8-10,13-15H2,1-3H3
InChIKeyRCFQNMOAIHKDMX-UHFFFAOYSA-N
XLogP3.70
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-1-pentylpyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methoxyphenyl)-1-octyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110566520
3-(2-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione
CID 110566161
1-butyl-3-(3,5-dimethylpiperidin-1-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110565793
1-(4-butylphenyl)-3-(2-methoxyphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110567000
3-(4-benzylpiperidin-1-yl)-4-(2-methoxyphenyl)-1-pentylpyrrole-2,5-dione
CID 110565757
1-(3-ethoxypropyl)-3-(2-methoxyphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110566432
1-butyl-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110565797
1-(4-chlorophenyl)-3-(2-methoxyphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110567152
1-(4-tert-butylphenyl)-3-(2-methoxyphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110567210
3-(3,4-dihydro-2H-quinolin-1-yl)-1-hexyl-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110566334
3-(3-methylpiperidin-1-yl)-1-octyl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575669
3-(3,5-dimethylpiperidin-1-yl)-4-(2-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 110566221

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-1-pentylpyrrole-2,5-dione?
The IUPAC name of 3-(2-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-1-pentylpyrrole-2,5-dione (CID 110565755) is 3-(2-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-1-pentylpyrrole-2,5-dione.
What is the SMILES notation for 3-(2-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-1-pentylpyrrole-2,5-dione?
The canonical SMILES for 3-(2-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-1-pentylpyrrole-2,5-dione is CCCCCN1C(=O)C(c2ccccc2OC)=C(N2CCCC(C)C2)C1=O.
What is the InChIKey of 3-(2-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-1-pentylpyrrole-2,5-dione?
The InChIKey is RCFQNMOAIHKDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-4-5-8-14-24-21(25)19(17-11-6-7-12-18(17)27-3)20(22(24)26)23-13-9-10-16(2)15-23/h6-7,11-12,16H,4-5,8-10,13-15H2,1-3H3.
What are the key properties of 3-(2-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-1-pentylpyrrole-2,5-dione?
3-(2-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-1-pentylpyrrole-2,5-dione has a molecular weight of 370.49 g/mol, XLogP of 3.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-1-pentylpyrrole-2,5-dione is sourced from PubChem (CID 110565755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).