1-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]pyrrolidine-2,5-dione

C17H23N3O3 — CID 3022194

IUPAC1-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]pyrrolidine-2,5-dione
SMILESCOc1ccc(CN2CCN(CN3C(=O)CCC3=O)CC2)cc1
InChIInChI=1S/C17H23N3O3/c1-23-15-4-2-14(3-5-15)12-18-8-10-19(11-9-18)13-20-16(21)6-7-17(20)22/h2-5H,6-13H2,1H3
InChIKeyDXRDKYRJQNJCNH-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.92
Rot. Bonds5

About 1-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]pyrrolidine-2,5-dione

1-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]pyrrolidine-2,5-dione (PubChem CID 3022194) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]pyrrolidine-2,5-dione
PubChem CID3022194
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name1-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]pyrrolidine-2,5-dione
SMILESCOc1ccc(CN2CCN(CN3C(=O)CCC3=O)CC2)cc1
InChIInChI=1S/C17H23N3O3/c1-23-15-4-2-14(3-5-15)12-18-8-10-19(11-9-18)13-20-16(21)6-7-17(20)22/h2-5H,6-13H2,1H3
InChIKeyDXRDKYRJQNJCNH-UHFFFAOYSA-N
XLogP0.92
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.92
H-Bond Donors ≤ 50
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-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]pyrrolidine-2,5-dione (CID 3022194) is 1-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]pyrrolidine-2,5-dione is COc1ccc(CN2CCN(CN3C(=O)CCC3=O)CC2)cc1.
What is the InChIKey of 1-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]pyrrolidine-2,5-dione?
The InChIKey is DXRDKYRJQNJCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-23-15-4-2-14(3-5-15)12-18-8-10-19(11-9-18)13-20-16(21)6-7-17(20)22/h2-5H,6-13H2,1H3.
What are the key properties of 1-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]pyrrolidine-2,5-dione?
1-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]pyrrolidine-2,5-dione has a molecular weight of 317.39 g/mol, XLogP of 0.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 3022194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).