N-[4-[1-(2-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide

C25H27N3O4 — CID 110563569

IUPACN-[4-[1-(2-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
SMILESCOc1ccccc1N1C(=O)C(c2ccc(NC(C)=O)cc2)=C(N2CCCC(C)C2)C1=O
InChIInChI=1S/C25H27N3O4/c1-16-7-6-14-27(15-16)23-22(18-10-12-19(13-11-18)26-17(2)29)24(30)28(25(23)31)20-8-4-5-9-21(20)32-3/h4-5,8-13,16H,6-7,14-15H2,1-3H3,(H,26,29)
InChIKeyPEJHHCCDHGBTLJ-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.67
Rot. Bonds5

About N-[4-[1-(2-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide

N-[4-[1-(2-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide (PubChem CID 110563569) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[4-[1-(2-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(2-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
PubChem CID110563569
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC NameN-[4-[1-(2-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
SMILESCOc1ccccc1N1C(=O)C(c2ccc(NC(C)=O)cc2)=C(N2CCCC(C)C2)C1=O
InChIInChI=1S/C25H27N3O4/c1-16-7-6-14-27(15-16)23-22(18-10-12-19(13-11-18)26-17(2)29)24(30)28(25(23)31)20-8-4-5-9-21(20)32-3/h4-5,8-13,16H,6-7,14-15H2,1-3H3,(H,26,29)
InChIKeyPEJHHCCDHGBTLJ-UHFFFAOYSA-N
XLogP3.67
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-[1-(2-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide 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-ethoxyphenyl)-3-(4-fluorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110544700
3-(4-chlorophenyl)-1-(2-ethoxyphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110570444
1-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110574086
3-(3-methylpiperidin-1-yl)-4-phenyl-1-(2-propoxyphenyl)pyrrole-2,5-dione
CID 110561504
N-[4-[1-(2-fluorophenyl)-4-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110563281
N-[4-[4-(3-methylpiperidin-1-yl)-1-octyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110563129
1-(2-ethoxyphenyl)-3-(3-methylpiperidin-1-yl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110542065
3-(4-methylphenyl)-4-(3-methylpiperidin-1-yl)-1-naphthalen-1-ylpyrrole-2,5-dione
CID 110574191
3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)-1-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110545592
1-(3-chloro-4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)-4-phenylpyrrole-2,5-dione
CID 110560573
N-[4-[1-(2-methoxyphenyl)-4-(N-methylanilino)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110563580
1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110550929

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[1-(2-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide (CID 110563569) is N-[4-[1-(2-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[1-(2-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[1-(2-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide is COc1ccccc1N1C(=O)C(c2ccc(NC(C)=O)cc2)=C(N2CCCC(C)C2)C1=O.
What is the InChIKey of N-[4-[1-(2-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The InChIKey is PEJHHCCDHGBTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-16-7-6-14-27(15-16)23-22(18-10-12-19(13-11-18)26-17(2)29)24(30)28(25(23)31)20-8-4-5-9-21(20)32-3/h4-5,8-13,16H,6-7,14-15H2,1-3H3,(H,26,29).
What are the key properties of N-[4-[1-(2-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
N-[4-[1-(2-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide has a molecular weight of 433.51 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide is sourced from PubChem (CID 110563569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).