3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)-1-methylpyrrolidine-2,5-dione

C20H26N2O5 — CID 45165732

IUPAC3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)-1-methylpyrrolidine-2,5-dione
SMILESCOc1cccc(C2(CC(=O)N3CCCCC3CO)CC(=O)N(C)C2=O)c1
InChIInChI=1S/C20H26N2O5/c1-21-17(24)11-20(19(21)26,14-6-5-8-16(10-14)27-2)12-18(25)22-9-4-3-7-15(22)13-23/h5-6,8,10,15,23H,3-4,7,9,11-13H2,1-2H3
InChIKeyNVXBYRYTITUJTO-UHFFFAOYSA-N
MW374.44 g/mol
LogP1.09
Rot. Bonds5

About 3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)-1-methylpyrrolidine-2,5-dione

3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)-1-methylpyrrolidine-2,5-dione (PubChem CID 45165732) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)-1-methylpyrrolidine-2,5-dione
PubChem CID45165732
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Name3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)-1-methylpyrrolidine-2,5-dione
SMILESCOc1cccc(C2(CC(=O)N3CCCCC3CO)CC(=O)N(C)C2=O)c1
InChIInChI=1S/C20H26N2O5/c1-21-17(24)11-20(19(21)26,14-6-5-8-16(10-14)27-2)12-18(25)22-9-4-3-7-15(22)13-23/h5-6,8,10,15,23H,3-4,7,9,11-13H2,1-2H3
InChIKeyNVXBYRYTITUJTO-UHFFFAOYSA-N
XLogP1.09
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.09
H-Bond Donors ≤ 51
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 3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)-1-methylpyrrolidine-2,5-dione (CID 45165732) is 3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)-1-methylpyrrolidine-2,5-dione is COc1cccc(C2(CC(=O)N3CCCCC3CO)CC(=O)N(C)C2=O)c1.
What is the InChIKey of 3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)-1-methylpyrrolidine-2,5-dione?
The InChIKey is NVXBYRYTITUJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-21-17(24)11-20(19(21)26,14-6-5-8-16(10-14)27-2)12-18(25)22-9-4-3-7-15(22)13-23/h5-6,8,10,15,23H,3-4,7,9,11-13H2,1-2H3.
What are the key properties of 3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)-1-methylpyrrolidine-2,5-dione?
3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)-1-methylpyrrolidine-2,5-dione has a molecular weight of 374.44 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 45165732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).