3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione

C18H24N2O3 — CID 4894678

IUPAC3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1cccc(N2C(=O)CC(N3CCCCC3CCO)C2=O)c1
InChIInChI=1S/C18H24N2O3/c1-13-5-4-7-15(11-13)20-17(22)12-16(18(20)23)19-9-3-2-6-14(19)8-10-21/h4-5,7,11,14,16,21H,2-3,6,8-10,12H2,1H3
InChIKeyHUIVJABWRLZTAE-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.86
Rot. Bonds4

About 3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione

3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione (PubChem CID 4894678) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione
PubChem CID4894678
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1cccc(N2C(=O)CC(N3CCCCC3CCO)C2=O)c1
InChIInChI=1S/C18H24N2O3/c1-13-5-4-7-15(11-13)20-17(22)12-16(18(20)23)19-9-3-2-6-14(19)8-10-21/h4-5,7,11,14,16,21H,2-3,6,8-10,12H2,1H3
InChIKeyHUIVJABWRLZTAE-UHFFFAOYSA-N
XLogP1.86
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione (CID 4894678) is 3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione is Cc1cccc(N2C(=O)CC(N3CCCCC3CCO)C2=O)c1.
What is the InChIKey of 3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione?
The InChIKey is HUIVJABWRLZTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13-5-4-7-15(11-13)20-17(22)12-16(18(20)23)19-9-3-2-6-14(19)8-10-21/h4-5,7,11,14,16,21H,2-3,6,8-10,12H2,1H3.
What are the key properties of 3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione?
3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione has a molecular weight of 316.40 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 4894678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).