1-(2,5-dichlorophenyl)-3-(3-methylpiperidin-1-yl)-4-phenylpyrrole-2,5-dione

C22H20Cl2N2O2 — CID 110562155

IUPAC1-(2,5-dichlorophenyl)-3-(3-methylpiperidin-1-yl)-4-phenylpyrrole-2,5-dione
SMILESCC1CCCN(C2=C(c3ccccc3)C(=O)N(c3cc(Cl)ccc3Cl)C2=O)C1
InChIInChI=1S/C22H20Cl2N2O2/c1-14-6-5-11-25(13-14)20-19(15-7-3-2-4-8-15)21(27)26(22(20)28)18-12-16(23)9-10-17(18)24/h2-4,7-10,12,14H,5-6,11,13H2,1H3
InChIKeyLIMWPTHAZLDPJE-UHFFFAOYSA-N
MW415.32 g/mol
LogP5.01
Rot. Bonds3

About 1-(2,5-dichlorophenyl)-3-(3-methylpiperidin-1-yl)-4-phenylpyrrole-2,5-dione

1-(2,5-dichlorophenyl)-3-(3-methylpiperidin-1-yl)-4-phenylpyrrole-2,5-dione (PubChem CID 110562155) has the molecular formula C22H20Cl2N2O2 and a molecular weight of 415.32 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-(3-methylpiperidin-1-yl)-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-(3-methylpiperidin-1-yl)-4-phenylpyrrole-2,5-dione
PubChem CID110562155
Molecular FormulaC22H20Cl2N2O2
Molecular Weight415.32 g/mol
Exact Mass414.09
IUPAC Name1-(2,5-dichlorophenyl)-3-(3-methylpiperidin-1-yl)-4-phenylpyrrole-2,5-dione
SMILESCC1CCCN(C2=C(c3ccccc3)C(=O)N(c3cc(Cl)ccc3Cl)C2=O)C1
InChIInChI=1S/C22H20Cl2N2O2/c1-14-6-5-11-25(13-14)20-19(15-7-3-2-4-8-15)21(27)26(22(20)28)18-12-16(23)9-10-17(18)24/h2-4,7-10,12,14H,5-6,11,13H2,1H3
InChIKeyLIMWPTHAZLDPJE-UHFFFAOYSA-N
XLogP5.01
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.32
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2,5-dichlorophenyl)-3-(3-methylpiperidin-1-yl)-4-phenylpyrrole-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

1-(2,5-dichlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]-4-phenylpyrrole-2,5-dione
CID 110562173
3-chloro-1-(2,5-dichlorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 2791459
1-(2,5-difluorophenyl)-3-(3-methylpiperidin-1-yl)-4-phenylpyrrole-2,5-dione
CID 110562110
1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110550929
1-(3-chloro-4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)-4-phenylpyrrole-2,5-dione
CID 110560573
3-(4-chlorophenyl)-1-(2-ethoxyphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110570444
1-(3-chloro-4-methylphenyl)-3-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110571152
1-(2-chlorophenyl)-3-(4-methylpiperidin-1-yl)-4-phenylpyrrole-2,5-dione
CID 110562182
3-(4-chlorophenyl)-1-(3,5-dimethoxyphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110569009
1-(2,5-dichlorophenyl)-3-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110558266
1-(2,5-difluorophenyl)-3-(4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110574740
3-(4-chlorophenyl)-1-methyl-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110569670

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-(3-methylpiperidin-1-yl)-4-phenylpyrrole-2,5-dione?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-(3-methylpiperidin-1-yl)-4-phenylpyrrole-2,5-dione (CID 110562155) is 1-(2,5-dichlorophenyl)-3-(3-methylpiperidin-1-yl)-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-(3-methylpiperidin-1-yl)-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-(3-methylpiperidin-1-yl)-4-phenylpyrrole-2,5-dione is CC1CCCN(C2=C(c3ccccc3)C(=O)N(c3cc(Cl)ccc3Cl)C2=O)C1.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-(3-methylpiperidin-1-yl)-4-phenylpyrrole-2,5-dione?
The InChIKey is LIMWPTHAZLDPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O2/c1-14-6-5-11-25(13-14)20-19(15-7-3-2-4-8-15)21(27)26(22(20)28)18-12-16(23)9-10-17(18)24/h2-4,7-10,12,14H,5-6,11,13H2,1H3.
What are the key properties of 1-(2,5-dichlorophenyl)-3-(3-methylpiperidin-1-yl)-4-phenylpyrrole-2,5-dione?
1-(2,5-dichlorophenyl)-3-(3-methylpiperidin-1-yl)-4-phenylpyrrole-2,5-dione has a molecular weight of 415.32 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-(3-methylpiperidin-1-yl)-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110562155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).