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

C19H27N3O3 — CID 3994476

IUPAC1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrrolidine-2,5-dione
SMILESCOc1ccccc1N1CCN(CCCCN2C(=O)CCC2=O)CC1
InChIInChI=1S/C19H27N3O3/c1-25-17-7-3-2-6-16(17)21-14-12-20(13-15-21)10-4-5-11-22-18(23)8-9-19(22)24/h2-3,6-7H,4-5,8-15H2,1H3
InChIKeyMQHOGPLXAXSQAJ-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.75
Rot. Bonds7

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

1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrrolidine-2,5-dione (PubChem CID 3994476) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrrolidine-2,5-dione
PubChem CID3994476
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrrolidine-2,5-dione
SMILESCOc1ccccc1N1CCN(CCCCN2C(=O)CCC2=O)CC1
InChIInChI=1S/C19H27N3O3/c1-25-17-7-3-2-6-16(17)21-14-12-20(13-15-21)10-4-5-11-22-18(23)8-9-19(22)24/h2-3,6-7H,4-5,8-15H2,1H3
InChIKeyMQHOGPLXAXSQAJ-UHFFFAOYSA-N
XLogP1.75
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrrolidine-2,5-dione (CID 3994476) is 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrrolidine-2,5-dione is COc1ccccc1N1CCN(CCCCN2C(=O)CCC2=O)CC1.
What is the InChIKey of 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrrolidine-2,5-dione?
The InChIKey is MQHOGPLXAXSQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-25-17-7-3-2-6-16(17)21-14-12-20(13-15-21)10-4-5-11-22-18(23)8-9-19(22)24/h2-3,6-7H,4-5,8-15H2,1H3.
What are the key properties of 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrrolidine-2,5-dione?
1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrrolidine-2,5-dione has a molecular weight of 345.44 g/mol, XLogP of 1.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 3994476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).