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

C21H29N3O3 — CID 10317139

IUPAC1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]pyrrolidine-2,5-dione
SMILESCOc1ccccc1N1CCN(C2CCC(N3C(=O)CCC3=O)CC2)CC1
InChIInChI=1S/C21H29N3O3/c1-27-19-5-3-2-4-18(19)23-14-12-22(13-15-23)16-6-8-17(9-7-16)24-20(25)10-11-21(24)26/h2-5,16-17H,6-15H2,1H3
InChIKeyFQRMBGDWYAVSBX-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.28
Rot. Bonds4

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

1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]pyrrolidine-2,5-dione (PubChem CID 10317139) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]pyrrolidine-2,5-dione
PubChem CID10317139
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]pyrrolidine-2,5-dione
SMILESCOc1ccccc1N1CCN(C2CCC(N3C(=O)CCC3=O)CC2)CC1
InChIInChI=1S/C21H29N3O3/c1-27-19-5-3-2-4-18(19)23-14-12-22(13-15-23)16-6-8-17(9-7-16)24-20(25)10-11-21(24)26/h2-5,16-17H,6-15H2,1H3
InChIKeyFQRMBGDWYAVSBX-UHFFFAOYSA-N
XLogP2.28
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]pyrrolidine-2,5-dione with MolForge

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Related Compounds

8-(2-(4-(2-Methoxyphenyl)-1-piperazinyl)ethyl)-8-azaspiro(4.5)decane-7,9-dione
CID 2419
1-(2-Methoxyphenyl)-4-propylpiperazine
CID 410747
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexanecarboxamide
CID 9819571
N-(2-methoxyphenyl)-2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamide
CID 2834475
1-(2-Ethoxy-phenyl)-3-(hydroxy-phenyl-amino)-pyrrolidine-2,5-dione
CID 2856113
1-(4-(4-(2-Methoxyphenyl)-1-piperazinyl)butyl)-2,5-pyrrolidinedione
CID 3994476
1-Butyl-4-(2-methoxy-phenyl)-piperazine
CID 10354670
1-Ethyl-4-(2-methoxyphenyl)piperazine
CID 10376185
1-(2-Methoxyphenyl)-4-pentylpiperazine
CID 10422832
1-(4-(4-Phenyl-1-piperazinyl)butyl)indolin-2-one
CID 10667433
2-(4-methylpiperazino)-N-(2-phenoxyphenyl)acetamide
CID 2813152
2-Methoxyfentanyl
CID 12741853

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]pyrrolidine-2,5-dione (CID 10317139) is 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]pyrrolidine-2,5-dione is COc1ccccc1N1CCN(C2CCC(N3C(=O)CCC3=O)CC2)CC1.
What is the InChIKey of 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]pyrrolidine-2,5-dione?
The InChIKey is FQRMBGDWYAVSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-27-19-5-3-2-4-18(19)23-14-12-22(13-15-23)16-6-8-17(9-7-16)24-20(25)10-11-21(24)26/h2-5,16-17H,6-15H2,1H3.
What are the key properties of 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]pyrrolidine-2,5-dione?
1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]pyrrolidine-2,5-dione has a molecular weight of 371.48 g/mol, XLogP of 2.28, 4 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]cyclohexyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 10317139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).