1-(2-methoxyphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-(4-nitrophenyl)pyrrole-2,5-dione

C24H26N4O5 — CID 110542575

IUPAC1-(2-methoxyphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-(4-nitrophenyl)pyrrole-2,5-dione
SMILESCOc1ccccc1N1C(=O)C(c2ccc([N+](=O)[O-])cc2)=C(N(C)C2CCN(C)CC2)C1=O
InChIInChI=1S/C24H26N4O5/c1-25-14-12-17(13-15-25)26(2)22-21(16-8-10-18(11-9-16)28(31)32)23(29)27(24(22)30)19-6-4-5-7-20(19)33-3/h4-11,17H,12-15H2,1-3H3
InChIKeyUHKRINFJBABHKP-UHFFFAOYSA-N
MW450.50 g/mol
LogP2.91
Rot. Bonds6

About 1-(2-methoxyphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-(4-nitrophenyl)pyrrole-2,5-dione

1-(2-methoxyphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-(4-nitrophenyl)pyrrole-2,5-dione (PubChem CID 110542575) has the molecular formula C24H26N4O5 and a molecular weight of 450.50 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-(4-nitrophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-(4-nitrophenyl)pyrrole-2,5-dione
PubChem CID110542575
Molecular FormulaC24H26N4O5
Molecular Weight450.50 g/mol
Exact Mass450.19
IUPAC Name1-(2-methoxyphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-(4-nitrophenyl)pyrrole-2,5-dione
SMILESCOc1ccccc1N1C(=O)C(c2ccc([N+](=O)[O-])cc2)=C(N(C)C2CCN(C)CC2)C1=O
InChIInChI=1S/C24H26N4O5/c1-25-14-12-17(13-15-25)26(2)22-21(16-8-10-18(11-9-16)28(31)32)23(29)27(24(22)30)19-6-4-5-7-20(19)33-3/h4-11,17H,12-15H2,1-3H3
InChIKeyUHKRINFJBABHKP-UHFFFAOYSA-N
XLogP2.91
TPSA96.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dimethoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110565082
3-[methyl-(1-methylpiperidin-4-yl)amino]-4-(4-methylphenyl)-1-(2-propoxyphenyl)pyrrole-2,5-dione
CID 110574287
1-(2,5-dimethoxyphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573666
1-(2-ethoxyphenyl)-3-(N-methylanilino)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110542076
3-(3,4-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione
CID 110550642
1-(2,3-dimethylphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-phenylpyrrole-2,5-dione
CID 110560986
3-(N-methylanilino)-1-(2-methylphenyl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110542741
3-(4-methoxyanilino)-1-(2-methoxyphenyl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110585710
1-(5-chloro-2-methylphenyl)-3-(2-methoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione
CID 110566846
1-[4-(dimethylamino)phenyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-phenylpyrrole-2,5-dione
CID 110558728
4-[3-(4-methoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-2,5-dioxopyrrol-1-yl]benzonitrile
CID 110558085
1-(3,4-dimethylphenyl)-3-(2-methoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione
CID 110566903

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-(4-nitrophenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2-methoxyphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-(4-nitrophenyl)pyrrole-2,5-dione (CID 110542575) is 1-(2-methoxyphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-(4-nitrophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-(4-nitrophenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-(4-nitrophenyl)pyrrole-2,5-dione is COc1ccccc1N1C(=O)C(c2ccc([N+](=O)[O-])cc2)=C(N(C)C2CCN(C)CC2)C1=O.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-(4-nitrophenyl)pyrrole-2,5-dione?
The InChIKey is UHKRINFJBABHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5/c1-25-14-12-17(13-15-25)26(2)22-21(16-8-10-18(11-9-16)28(31)32)23(29)27(24(22)30)19-6-4-5-7-20(19)33-3/h4-11,17H,12-15H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-(4-nitrophenyl)pyrrole-2,5-dione?
1-(2-methoxyphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-(4-nitrophenyl)pyrrole-2,5-dione has a molecular weight of 450.50 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-(4-nitrophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110542575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).