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

C24H34N4O4 — CID 110566477

IUPAC3-(2-methoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(N(C)C2CCN(C)CC2)C(=O)N(CCN2CCOCC2)C1=O
InChIInChI=1S/C24H34N4O4/c1-25-10-8-18(9-11-25)26(2)22-21(19-6-4-5-7-20(19)31-3)23(29)28(24(22)30)13-12-27-14-16-32-17-15-27/h4-7,18H,8-17H2,1-3H3
InChIKeyASNZKJDEFTYVPS-UHFFFAOYSA-N
MW442.56 g/mol
LogP1.13
Rot. Bonds7

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

3-(2-methoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione (PubChem CID 110566477) has the molecular formula C24H34N4O4 and a molecular weight of 442.56 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione
PubChem CID110566477
Molecular FormulaC24H34N4O4
Molecular Weight442.56 g/mol
Exact Mass442.26
IUPAC Name3-(2-methoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(N(C)C2CCN(C)CC2)C(=O)N(CCN2CCOCC2)C1=O
InChIInChI=1S/C24H34N4O4/c1-25-10-8-18(9-11-25)26(2)22-21(19-6-4-5-7-20(19)31-3)23(29)28(24(22)30)13-12-27-14-16-32-17-15-27/h4-7,18H,8-17H2,1-3H3
InChIKeyASNZKJDEFTYVPS-UHFFFAOYSA-N
XLogP1.13
TPSA65.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-octylpyrrole-2,5-dione
CID 110566529
1-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione
CID 110566202
3-chloro-4-(2-methoxyphenyl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione
CID 110583839
1-(3,4-dimethylphenyl)-3-(2-methoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione
CID 110566903
1-(5-chloro-2-methylphenyl)-3-(2-methoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione
CID 110566846
3-(4-fluoroanilino)-4-(2-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione
CID 110597949
1-butyl-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110565797
1-ethyl-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110565875
1-(3-butoxypropyl)-3-(2-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110566422
3-(N-ethylanilino)-4-(2-methoxyphenyl)-1-propylpyrrole-2,5-dione
CID 110565855
1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione
CID 110555926
3-(3,4-dimethylphenyl)-1-(3-methoxypropyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione
CID 110549160

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione?
The IUPAC name of 3-(2-methoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione (CID 110566477) is 3-(2-methoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2-methoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2-methoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione is COc1ccccc1C1=C(N(C)C2CCN(C)CC2)C(=O)N(CCN2CCOCC2)C1=O.
What is the InChIKey of 3-(2-methoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione?
The InChIKey is ASNZKJDEFTYVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O4/c1-25-10-8-18(9-11-25)26(2)22-21(19-6-4-5-7-20(19)31-3)23(29)28(24(22)30)13-12-27-14-16-32-17-15-27/h4-7,18H,8-17H2,1-3H3.
What are the key properties of 3-(2-methoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione?
3-(2-methoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione has a molecular weight of 442.56 g/mol, XLogP of 1.13, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione is sourced from PubChem (CID 110566477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).