1-cyclohexyl-4-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)piperazine-2,5-dione

C24H27FN2O3 — CID 4282171

IUPAC1-cyclohexyl-4-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)piperazine-2,5-dione
SMILESCOc1cccc(C2C(=O)N(C3CCCCC3)CC(=O)N2Cc2ccc(F)cc2)c1
InChIInChI=1S/C24H27FN2O3/c1-30-21-9-5-6-18(14-21)23-24(29)26(20-7-3-2-4-8-20)16-22(28)27(23)15-17-10-12-19(25)13-11-17/h5-6,9-14,20,23H,2-4,7-8,15-16H2,1H3
InChIKeySFCNRZBSTOWTOU-UHFFFAOYSA-N
MW410.49 g/mol
LogP4.08
Rot. Bonds5

About 1-cyclohexyl-4-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)piperazine-2,5-dione

1-cyclohexyl-4-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)piperazine-2,5-dione (PubChem CID 4282171) has the molecular formula C24H27FN2O3 and a molecular weight of 410.49 g/mol. Its IUPAC name is 1-cyclohexyl-4-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-cyclohexyl-4-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)piperazine-2,5-dione
PubChem CID4282171
Molecular FormulaC24H27FN2O3
Molecular Weight410.49 g/mol
Exact Mass410.20
IUPAC Name1-cyclohexyl-4-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)piperazine-2,5-dione
SMILESCOc1cccc(C2C(=O)N(C3CCCCC3)CC(=O)N2Cc2ccc(F)cc2)c1
InChIInChI=1S/C24H27FN2O3/c1-30-21-9-5-6-18(14-21)23-24(29)26(20-7-3-2-4-8-20)16-22(28)27(23)15-17-10-12-19(25)13-11-17/h5-6,9-14,20,23H,2-4,7-8,15-16H2,1H3
InChIKeySFCNRZBSTOWTOU-UHFFFAOYSA-N
XLogP4.08
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)piperazine-2,5-dione?
The IUPAC name of 1-cyclohexyl-4-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)piperazine-2,5-dione (CID 4282171) is 1-cyclohexyl-4-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)piperazine-2,5-dione.
What is the SMILES notation for 1-cyclohexyl-4-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)piperazine-2,5-dione?
The canonical SMILES for 1-cyclohexyl-4-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)piperazine-2,5-dione is COc1cccc(C2C(=O)N(C3CCCCC3)CC(=O)N2Cc2ccc(F)cc2)c1.
What is the InChIKey of 1-cyclohexyl-4-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)piperazine-2,5-dione?
The InChIKey is SFCNRZBSTOWTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O3/c1-30-21-9-5-6-18(14-21)23-24(29)26(20-7-3-2-4-8-20)16-22(28)27(23)15-17-10-12-19(25)13-11-17/h5-6,9-14,20,23H,2-4,7-8,15-16H2,1H3.
What are the key properties of 1-cyclohexyl-4-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)piperazine-2,5-dione?
1-cyclohexyl-4-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)piperazine-2,5-dione has a molecular weight of 410.49 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)piperazine-2,5-dione is sourced from PubChem (CID 4282171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).