4-(3,5-difluorobenzoyl)-5-methyl-1-(2-methylphenyl)piperazin-2-one

C19H18F2N2O2 — CID 70759120

IUPAC4-(3,5-difluorobenzoyl)-5-methyl-1-(2-methylphenyl)piperazin-2-one
SMILESCc1ccccc1N1CC(C)N(C(=O)c2cc(F)cc(F)c2)CC1=O
InChIInChI=1S/C19H18F2N2O2/c1-12-5-3-4-6-17(12)23-10-13(2)22(11-18(23)24)19(25)14-7-15(20)9-16(21)8-14/h3-9,13H,10-11H2,1-2H3
InChIKeyBMKOXMBYROEIHN-UHFFFAOYSA-N
MW344.36 g/mol
LogP3.15
Rot. Bonds2

About 4-(3,5-difluorobenzoyl)-5-methyl-1-(2-methylphenyl)piperazin-2-one

4-(3,5-difluorobenzoyl)-5-methyl-1-(2-methylphenyl)piperazin-2-one (PubChem CID 70759120) has the molecular formula C19H18F2N2O2 and a molecular weight of 344.36 g/mol. Its IUPAC name is 4-(3,5-difluorobenzoyl)-5-methyl-1-(2-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(3,5-difluorobenzoyl)-5-methyl-1-(2-methylphenyl)piperazin-2-one
PubChem CID70759120
Molecular FormulaC19H18F2N2O2
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name4-(3,5-difluorobenzoyl)-5-methyl-1-(2-methylphenyl)piperazin-2-one
SMILESCc1ccccc1N1CC(C)N(C(=O)c2cc(F)cc(F)c2)CC1=O
InChIInChI=1S/C19H18F2N2O2/c1-12-5-3-4-6-17(12)23-10-13(2)22(11-18(23)24)19(25)14-7-15(20)9-16(21)8-14/h3-9,13H,10-11H2,1-2H3
InChIKeyBMKOXMBYROEIHN-UHFFFAOYSA-N
XLogP3.15
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluorobenzoyl)-5-methyl-1-(2-methylphenyl)piperazin-2-one?
The IUPAC name of 4-(3,5-difluorobenzoyl)-5-methyl-1-(2-methylphenyl)piperazin-2-one (CID 70759120) is 4-(3,5-difluorobenzoyl)-5-methyl-1-(2-methylphenyl)piperazin-2-one.
What is the SMILES notation for 4-(3,5-difluorobenzoyl)-5-methyl-1-(2-methylphenyl)piperazin-2-one?
The canonical SMILES for 4-(3,5-difluorobenzoyl)-5-methyl-1-(2-methylphenyl)piperazin-2-one is Cc1ccccc1N1CC(C)N(C(=O)c2cc(F)cc(F)c2)CC1=O.
What is the InChIKey of 4-(3,5-difluorobenzoyl)-5-methyl-1-(2-methylphenyl)piperazin-2-one?
The InChIKey is BMKOXMBYROEIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O2/c1-12-5-3-4-6-17(12)23-10-13(2)22(11-18(23)24)19(25)14-7-15(20)9-16(21)8-14/h3-9,13H,10-11H2,1-2H3.
What are the key properties of 4-(3,5-difluorobenzoyl)-5-methyl-1-(2-methylphenyl)piperazin-2-one?
4-(3,5-difluorobenzoyl)-5-methyl-1-(2-methylphenyl)piperazin-2-one has a molecular weight of 344.36 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluorobenzoyl)-5-methyl-1-(2-methylphenyl)piperazin-2-one is sourced from PubChem (CID 70759120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).