1-cycloheptyl-3-(4-ethoxyphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione

C25H34N2O3 — CID 110546785

IUPAC1-cycloheptyl-3-(4-ethoxyphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
SMILESCCOc1ccc(C2=C(N3CCC(C)CC3)C(=O)N(C3CCCCCC3)C2=O)cc1
InChIInChI=1S/C25H34N2O3/c1-3-30-21-12-10-19(11-13-21)22-23(26-16-14-18(2)15-17-26)25(29)27(24(22)28)20-8-6-4-5-7-9-20/h10-13,18,20H,3-9,14-17H2,1-2H3
InChIKeyONWGCPKQRCCKKP-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.62
Rot. Bonds5

About 1-cycloheptyl-3-(4-ethoxyphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione

1-cycloheptyl-3-(4-ethoxyphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione (PubChem CID 110546785) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is 1-cycloheptyl-3-(4-ethoxyphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-cycloheptyl-3-(4-ethoxyphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
PubChem CID110546785
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC Name1-cycloheptyl-3-(4-ethoxyphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
SMILESCCOc1ccc(C2=C(N3CCC(C)CC3)C(=O)N(C3CCCCCC3)C2=O)cc1
InChIInChI=1S/C25H34N2O3/c1-3-30-21-12-10-19(11-13-21)22-23(26-16-14-18(2)15-17-26)25(29)27(24(22)28)20-8-6-4-5-7-9-20/h10-13,18,20H,3-9,14-17H2,1-2H3
InChIKeyONWGCPKQRCCKKP-UHFFFAOYSA-N
XLogP4.62
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-cycloheptyl-3-(4-ethoxyphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-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-cyclohexyl-3-(4-ethoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110546758
1-cycloheptyl-3-(4-methylpiperidin-1-yl)-4-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
CID 110551389
1-cyclooctyl-3-(4-methylpiperidin-1-yl)-4-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
CID 110551407
1-cycloheptyl-3-(4-ethoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110546790
1-cyclooctyl-3-(4-methylpiperidin-1-yl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575386
1-cyclohexyl-3-(4-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110556472
1-cycloheptyl-3-piperidin-1-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575359
1-cycloheptyl-3-(4-propan-2-yloxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110575363
1-cycloheptyl-3-(2,6-dimethylmorpholin-4-yl)-4-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
CID 110551394
3-(4-benzylpiperidin-1-yl)-1-cyclohexyl-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110556471
3-(4-ethoxyphenyl)-4-(4-methylpiperidin-1-yl)-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione
CID 110546725
3-(4-ethoxyphenyl)-4-(4-methylpiperidin-1-yl)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110546200

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-(4-ethoxyphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione?
The IUPAC name of 1-cycloheptyl-3-(4-ethoxyphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione (CID 110546785) is 1-cycloheptyl-3-(4-ethoxyphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione.
What is the SMILES notation for 1-cycloheptyl-3-(4-ethoxyphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione?
The canonical SMILES for 1-cycloheptyl-3-(4-ethoxyphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione is CCOc1ccc(C2=C(N3CCC(C)CC3)C(=O)N(C3CCCCCC3)C2=O)cc1.
What is the InChIKey of 1-cycloheptyl-3-(4-ethoxyphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione?
The InChIKey is ONWGCPKQRCCKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-3-30-21-12-10-19(11-13-21)22-23(26-16-14-18(2)15-17-26)25(29)27(24(22)28)20-8-6-4-5-7-9-20/h10-13,18,20H,3-9,14-17H2,1-2H3.
What are the key properties of 1-cycloheptyl-3-(4-ethoxyphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione?
1-cycloheptyl-3-(4-ethoxyphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione has a molecular weight of 410.56 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-(4-ethoxyphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione is sourced from PubChem (CID 110546785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).