1-(2-hydroxyethyl)-3-[4-(4-methylpiperidine-1-carbonyl)anilino]pyrrole-2,5-dione

C19H23N3O4 — CID 168557148

IUPAC1-(2-hydroxyethyl)-3-[4-(4-methylpiperidine-1-carbonyl)anilino]pyrrole-2,5-dione
SMILESCC1CCN(C(=O)c2ccc(NC3=CC(=O)N(CCO)C3=O)cc2)CC1
InChIInChI=1S/C19H23N3O4/c1-13-6-8-21(9-7-13)18(25)14-2-4-15(5-3-14)20-16-12-17(24)22(10-11-23)19(16)26/h2-5,12-13,20,23H,6-11H2,1H3
InChIKeyUORXZBCLYLREIU-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.22
Rot. Bonds5

About 1-(2-hydroxyethyl)-3-[4-(4-methylpiperidine-1-carbonyl)anilino]pyrrole-2,5-dione

1-(2-hydroxyethyl)-3-[4-(4-methylpiperidine-1-carbonyl)anilino]pyrrole-2,5-dione (PubChem CID 168557148) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[4-(4-methylpiperidine-1-carbonyl)anilino]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[4-(4-methylpiperidine-1-carbonyl)anilino]pyrrole-2,5-dione
PubChem CID168557148
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name1-(2-hydroxyethyl)-3-[4-(4-methylpiperidine-1-carbonyl)anilino]pyrrole-2,5-dione
SMILESCC1CCN(C(=O)c2ccc(NC3=CC(=O)N(CCO)C3=O)cc2)CC1
InChIInChI=1S/C19H23N3O4/c1-13-6-8-21(9-7-13)18(25)14-2-4-15(5-3-14)20-16-12-17(24)22(10-11-23)19(16)26/h2-5,12-13,20,23H,6-11H2,1H3
InChIKeyUORXZBCLYLREIU-UHFFFAOYSA-N
XLogP1.22
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[4-(4-methylpiperidine-1-carbonyl)anilino]pyrrole-2,5-dione?
The IUPAC name of 1-(2-hydroxyethyl)-3-[4-(4-methylpiperidine-1-carbonyl)anilino]pyrrole-2,5-dione (CID 168557148) is 1-(2-hydroxyethyl)-3-[4-(4-methylpiperidine-1-carbonyl)anilino]pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[4-(4-methylpiperidine-1-carbonyl)anilino]pyrrole-2,5-dione?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[4-(4-methylpiperidine-1-carbonyl)anilino]pyrrole-2,5-dione is CC1CCN(C(=O)c2ccc(NC3=CC(=O)N(CCO)C3=O)cc2)CC1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[4-(4-methylpiperidine-1-carbonyl)anilino]pyrrole-2,5-dione?
The InChIKey is UORXZBCLYLREIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-13-6-8-21(9-7-13)18(25)14-2-4-15(5-3-14)20-16-12-17(24)22(10-11-23)19(16)26/h2-5,12-13,20,23H,6-11H2,1H3.
What are the key properties of 1-(2-hydroxyethyl)-3-[4-(4-methylpiperidine-1-carbonyl)anilino]pyrrole-2,5-dione?
1-(2-hydroxyethyl)-3-[4-(4-methylpiperidine-1-carbonyl)anilino]pyrrole-2,5-dione has a molecular weight of 357.41 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[4-(4-methylpiperidine-1-carbonyl)anilino]pyrrole-2,5-dione is sourced from PubChem (CID 168557148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).