(3R)-1-(2,4-difluorophenyl)-4-(3-fluorobenzoyl)-3-methylpiperazin-2-one

C18H15F3N2O2 — CID 93321851

IUPAC(3R)-1-(2,4-difluorophenyl)-4-(3-fluorobenzoyl)-3-methylpiperazin-2-one
SMILESC[C@@H]1C(=O)N(c2ccc(F)cc2F)CCN1C(=O)c1cccc(F)c1
InChIInChI=1S/C18H15F3N2O2/c1-11-17(24)23(16-6-5-14(20)10-15(16)21)8-7-22(11)18(25)12-3-2-4-13(19)9-12/h2-6,9-11H,7-8H2,1H3/t11-/m1/s1
InChIKeyZJVDPOFHLXUGHZ-LLVKDONJSA-N
MW348.32 g/mol
LogP2.98
Rot. Bonds2

About (3R)-1-(2,4-difluorophenyl)-4-(3-fluorobenzoyl)-3-methylpiperazin-2-one

(3R)-1-(2,4-difluorophenyl)-4-(3-fluorobenzoyl)-3-methylpiperazin-2-one (PubChem CID 93321851) has the molecular formula C18H15F3N2O2 and a molecular weight of 348.32 g/mol. Its IUPAC name is (3R)-1-(2,4-difluorophenyl)-4-(3-fluorobenzoyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name(3R)-1-(2,4-difluorophenyl)-4-(3-fluorobenzoyl)-3-methylpiperazin-2-one
PubChem CID93321851
Molecular FormulaC18H15F3N2O2
Molecular Weight348.32 g/mol
Exact Mass348.11
IUPAC Name(3R)-1-(2,4-difluorophenyl)-4-(3-fluorobenzoyl)-3-methylpiperazin-2-one
SMILESC[C@@H]1C(=O)N(c2ccc(F)cc2F)CCN1C(=O)c1cccc(F)c1
InChIInChI=1S/C18H15F3N2O2/c1-11-17(24)23(16-6-5-14(20)10-15(16)21)8-7-22(11)18(25)12-3-2-4-13(19)9-12/h2-6,9-11H,7-8H2,1H3/t11-/m1/s1
InChIKeyZJVDPOFHLXUGHZ-LLVKDONJSA-N
XLogP2.98
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-4-(3-fluorobenzoyl)-3-methylpiperazin-2-one
CID 24716392
4-(4-bromobenzoyl)-1-(2,4-difluorophenyl)-3-methylpiperazin-2-one
CID 46036269
1-(2,4-difluorophenyl)-3-methyl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one
CID 46036261
1-(3,4-dimethylphenyl)-4-(3-fluorobenzoyl)-3-methylpiperazin-2-one
CID 24718836
1-(3,4-dimethoxyphenyl)-4-(3-fluorobenzoyl)-3-methylpiperazin-2-one
CID 24719545
1-(2,4-difluorophenyl)-4-(3,3-dimethylbutanoyl)-3-methylpiperazin-2-one
CID 24716829
(3R)-1-(2-fluorophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
CID 93321676
1-(2-fluorophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
CID 24716617
(3S)-1-(2-fluoro-5-methylphenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one
CID 93321433
(3R)-1-(5-chloro-2-methylphenyl)-4-(4-fluorobenzoyl)-3-methylpiperazin-2-one
CID 93322209
(3R)-4-(3-bromobenzoyl)-1-(2-methoxyphenyl)-3-methylpiperazin-2-one
CID 93322783
(3S)-1-(3,5-dimethylphenyl)-4-(4-fluorobenzoyl)-3-methylpiperazin-2-one
CID 93292634

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,4-difluorophenyl)-4-(3-fluorobenzoyl)-3-methylpiperazin-2-one?
The IUPAC name of (3R)-1-(2,4-difluorophenyl)-4-(3-fluorobenzoyl)-3-methylpiperazin-2-one (CID 93321851) is (3R)-1-(2,4-difluorophenyl)-4-(3-fluorobenzoyl)-3-methylpiperazin-2-one.
What is the SMILES notation for (3R)-1-(2,4-difluorophenyl)-4-(3-fluorobenzoyl)-3-methylpiperazin-2-one?
The canonical SMILES for (3R)-1-(2,4-difluorophenyl)-4-(3-fluorobenzoyl)-3-methylpiperazin-2-one is C[C@@H]1C(=O)N(c2ccc(F)cc2F)CCN1C(=O)c1cccc(F)c1.
What is the InChIKey of (3R)-1-(2,4-difluorophenyl)-4-(3-fluorobenzoyl)-3-methylpiperazin-2-one?
The InChIKey is ZJVDPOFHLXUGHZ-LLVKDONJSA-N. The full InChI is InChI=1S/C18H15F3N2O2/c1-11-17(24)23(16-6-5-14(20)10-15(16)21)8-7-22(11)18(25)12-3-2-4-13(19)9-12/h2-6,9-11H,7-8H2,1H3/t11-/m1/s1.
What are the key properties of (3R)-1-(2,4-difluorophenyl)-4-(3-fluorobenzoyl)-3-methylpiperazin-2-one?
(3R)-1-(2,4-difluorophenyl)-4-(3-fluorobenzoyl)-3-methylpiperazin-2-one has a molecular weight of 348.32 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,4-difluorophenyl)-4-(3-fluorobenzoyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 93321851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).