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

C23H24ClFN2O2 — CID 3614903

IUPAC4-[(2-chlorophenyl)methyl]-1-cyclohexyl-3-(4-fluorophenyl)piperazine-2,5-dione
SMILESO=C1C(c2ccc(F)cc2)N(Cc2ccccc2Cl)C(=O)CN1C1CCCCC1
InChIInChI=1S/C23H24ClFN2O2/c24-20-9-5-4-6-17(20)14-27-21(28)15-26(19-7-2-1-3-8-19)23(29)22(27)16-10-12-18(25)13-11-16/h4-6,9-13,19,22H,1-3,7-8,14-15H2
InChIKeyHFGXJSZDSQQJJU-UHFFFAOYSA-N
MW414.91 g/mol
LogP4.72
Rot. Bonds4

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

4-[(2-chlorophenyl)methyl]-1-cyclohexyl-3-(4-fluorophenyl)piperazine-2,5-dione (PubChem CID 3614903) has the molecular formula C23H24ClFN2O2 and a molecular weight of 414.91 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methyl]-1-cyclohexyl-3-(4-fluorophenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methyl]-1-cyclohexyl-3-(4-fluorophenyl)piperazine-2,5-dione
PubChem CID3614903
Molecular FormulaC23H24ClFN2O2
Molecular Weight414.91 g/mol
Exact Mass414.15
IUPAC Name4-[(2-chlorophenyl)methyl]-1-cyclohexyl-3-(4-fluorophenyl)piperazine-2,5-dione
SMILESO=C1C(c2ccc(F)cc2)N(Cc2ccccc2Cl)C(=O)CN1C1CCCCC1
InChIInChI=1S/C23H24ClFN2O2/c24-20-9-5-4-6-17(20)14-27-21(28)15-26(19-7-2-1-3-8-19)23(29)22(27)16-10-12-18(25)13-11-16/h4-6,9-13,19,22H,1-3,7-8,14-15H2
InChIKeyHFGXJSZDSQQJJU-UHFFFAOYSA-N
XLogP4.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.91
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methyl]-1-cyclohexyl-3-(4-fluorophenyl)piperazine-2,5-dione?
The IUPAC name of 4-[(2-chlorophenyl)methyl]-1-cyclohexyl-3-(4-fluorophenyl)piperazine-2,5-dione (CID 3614903) is 4-[(2-chlorophenyl)methyl]-1-cyclohexyl-3-(4-fluorophenyl)piperazine-2,5-dione.
What is the SMILES notation for 4-[(2-chlorophenyl)methyl]-1-cyclohexyl-3-(4-fluorophenyl)piperazine-2,5-dione?
The canonical SMILES for 4-[(2-chlorophenyl)methyl]-1-cyclohexyl-3-(4-fluorophenyl)piperazine-2,5-dione is O=C1C(c2ccc(F)cc2)N(Cc2ccccc2Cl)C(=O)CN1C1CCCCC1.
What is the InChIKey of 4-[(2-chlorophenyl)methyl]-1-cyclohexyl-3-(4-fluorophenyl)piperazine-2,5-dione?
The InChIKey is HFGXJSZDSQQJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN2O2/c24-20-9-5-4-6-17(20)14-27-21(28)15-26(19-7-2-1-3-8-19)23(29)22(27)16-10-12-18(25)13-11-16/h4-6,9-13,19,22H,1-3,7-8,14-15H2.
What are the key properties of 4-[(2-chlorophenyl)methyl]-1-cyclohexyl-3-(4-fluorophenyl)piperazine-2,5-dione?
4-[(2-chlorophenyl)methyl]-1-cyclohexyl-3-(4-fluorophenyl)piperazine-2,5-dione has a molecular weight of 414.91 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methyl]-1-cyclohexyl-3-(4-fluorophenyl)piperazine-2,5-dione is sourced from PubChem (CID 3614903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).