1-benzyl-3-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione

C23H23ClN2O2 — CID 110569484

IUPAC1-benzyl-3-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
SMILESCC1CCCN(C2=C(c3ccc(Cl)cc3)C(=O)N(Cc3ccccc3)C2=O)C1
InChIInChI=1S/C23H23ClN2O2/c1-16-6-5-13-25(14-16)21-20(18-9-11-19(24)12-10-18)22(27)26(23(21)28)15-17-7-3-2-4-8-17/h2-4,7-12,16H,5-6,13-15H2,1H3
InChIKeyNGZZSBMIVRKKTB-UHFFFAOYSA-N
MW394.90 g/mol
LogP4.35
Rot. Bonds4

About 1-benzyl-3-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione

1-benzyl-3-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione (PubChem CID 110569484) has the molecular formula C23H23ClN2O2 and a molecular weight of 394.90 g/mol. Its IUPAC name is 1-benzyl-3-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
PubChem CID110569484
Molecular FormulaC23H23ClN2O2
Molecular Weight394.90 g/mol
Exact Mass394.14
IUPAC Name1-benzyl-3-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
SMILESCC1CCCN(C2=C(c3ccc(Cl)cc3)C(=O)N(Cc3ccccc3)C2=O)C1
InChIInChI=1S/C23H23ClN2O2/c1-16-6-5-13-25(14-16)21-20(18-9-11-19(24)12-10-18)22(27)26(23(21)28)15-17-7-3-2-4-8-17/h2-4,7-12,16H,5-6,13-15H2,1H3
InChIKeyNGZZSBMIVRKKTB-UHFFFAOYSA-N
XLogP4.35
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.90
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)-1-[2-(4-chlorophenyl)ethyl]-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110569140
3-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110570022
3-(4-chlorophenyl)-1-methyl-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110569670
1-[(4-chlorophenyl)methyl]-3-(2,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110578103
3-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110543269
4-[[3-(4-methylphenyl)-4-(3-methylpiperidin-1-yl)-2,5-dioxopyrrol-1-yl]methyl]benzenesulfonamide
CID 110572821
1-[2-(4-chlorophenyl)ethyl]-3-(3-methylpiperidin-1-yl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110540888
3-[3-(hydroxymethyl)piperidin-1-yl]-1-[(4-methylphenyl)methyl]-4-phenylpyrrole-2,5-dione
CID 110559018
3-(4-chlorophenyl)-1-cyclohexyl-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110569781
1-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)-4-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
CID 110550998
1-benzyl-3-(3,5-dimethylpiperidin-1-yl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110541203
3-(4-chlorophenyl)-1-(2-ethoxyphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110570444

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione?
The IUPAC name of 1-benzyl-3-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione (CID 110569484) is 1-benzyl-3-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione.
What is the SMILES notation for 1-benzyl-3-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione?
The canonical SMILES for 1-benzyl-3-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione is CC1CCCN(C2=C(c3ccc(Cl)cc3)C(=O)N(Cc3ccccc3)C2=O)C1.
What is the InChIKey of 1-benzyl-3-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione?
The InChIKey is NGZZSBMIVRKKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O2/c1-16-6-5-13-25(14-16)21-20(18-9-11-19(24)12-10-18)22(27)26(23(21)28)15-17-7-3-2-4-8-17/h2-4,7-12,16H,5-6,13-15H2,1H3.
What are the key properties of 1-benzyl-3-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione?
1-benzyl-3-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione has a molecular weight of 394.90 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione is sourced from PubChem (CID 110569484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).