1-(3-chloro-4-fluorophenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one

C15H18ClFN2O2 — CID 24718908

IUPAC1-(3-chloro-4-fluorophenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one
SMILESCC(C)C(=O)N1CCN(c2ccc(F)c(Cl)c2)C(=O)C1C
InChIInChI=1S/C15H18ClFN2O2/c1-9(2)14(20)18-6-7-19(15(21)10(18)3)11-4-5-13(17)12(16)8-11/h4-5,8-10H,6-7H2,1-3H3
InChIKeyUNZPPYUVBHBGPX-UHFFFAOYSA-N
MW312.77 g/mol
LogP2.70
Rot. Bonds2

About 1-(3-chloro-4-fluorophenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one

1-(3-chloro-4-fluorophenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one (PubChem CID 24718908) has the molecular formula C15H18ClFN2O2 and a molecular weight of 312.77 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one
PubChem CID24718908
Molecular FormulaC15H18ClFN2O2
Molecular Weight312.77 g/mol
Exact Mass312.10
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one
SMILESCC(C)C(=O)N1CCN(c2ccc(F)c(Cl)c2)C(=O)C1C
InChIInChI=1S/C15H18ClFN2O2/c1-9(2)14(20)18-6-7-19(15(21)10(18)3)11-4-5-13(17)12(16)8-11/h4-5,8-10H,6-7H2,1-3H3
InChIKeyUNZPPYUVBHBGPX-UHFFFAOYSA-N
XLogP2.70
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.77
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one (CID 24718908) is 1-(3-chloro-4-fluorophenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one is CC(C)C(=O)N1CCN(c2ccc(F)c(Cl)c2)C(=O)C1C.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one?
The InChIKey is UNZPPYUVBHBGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2O2/c1-9(2)14(20)18-6-7-19(15(21)10(18)3)11-4-5-13(17)12(16)8-11/h4-5,8-10H,6-7H2,1-3H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one?
1-(3-chloro-4-fluorophenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one has a molecular weight of 312.77 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one is sourced from PubChem (CID 24718908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).