(3R)-1-(2-fluorophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one

C19H19FN2O2 — CID 93321676

IUPAC(3R)-1-(2-fluorophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
SMILESCc1ccc(C(=O)N2CCN(c3ccccc3F)C(=O)[C@H]2C)cc1
InChIInChI=1S/C19H19FN2O2/c1-13-7-9-15(10-8-13)19(24)21-11-12-22(18(23)14(21)2)17-6-4-3-5-16(17)20/h3-10,14H,11-12H2,1-2H3/t14-/m1/s1
InChIKeyMEFURGVDHLYZMP-CQSZACIVSA-N
MW326.37 g/mol
LogP3.01
Rot. Bonds2

About (3R)-1-(2-fluorophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one

(3R)-1-(2-fluorophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one (PubChem CID 93321676) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is (3R)-1-(2-fluorophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one.

Molecular Properties

Compound Name(3R)-1-(2-fluorophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
PubChem CID93321676
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name(3R)-1-(2-fluorophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
SMILESCc1ccc(C(=O)N2CCN(c3ccccc3F)C(=O)[C@H]2C)cc1
InChIInChI=1S/C19H19FN2O2/c1-13-7-9-15(10-8-13)19(24)21-11-12-22(18(23)14(21)2)17-6-4-3-5-16(17)20/h3-10,14H,11-12H2,1-2H3/t14-/m1/s1
InChIKeyMEFURGVDHLYZMP-CQSZACIVSA-N
XLogP3.01
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
CID 24716617
(3R)-1-(2-fluorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 93292395
4-(2-chlorobenzoyl)-1-(2-fluorophenyl)-3-methylpiperazin-2-one
CID 24716325
(3S)-1-(4-chloro-2-methylphenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
CID 93323347
(3R)-1-(4-chlorophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
CID 93321834
(3S)-1-(2-fluoro-5-methylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 93292476
4-(4-bromobenzoyl)-1-(2,4-difluorophenyl)-3-methylpiperazin-2-one
CID 46036269
(3S)-1-(4-bromophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
CID 93322323
(3S)-1-(2-fluoro-5-methylphenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one
CID 93321433
(3S)-3-methyl-1-(2-methylphenyl)-4-(4-nitrobenzoyl)piperazin-2-one
CID 93322052
(3S)-1-(3-chloro-2-methylphenyl)-4-(2-fluorobenzoyl)-3-methylpiperazin-2-one
CID 93321596
(3R)-1-(5-chloro-2-methylphenyl)-4-(4-fluorobenzoyl)-3-methylpiperazin-2-one
CID 93322209

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-fluorophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one?
The IUPAC name of (3R)-1-(2-fluorophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one (CID 93321676) is (3R)-1-(2-fluorophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one.
What is the SMILES notation for (3R)-1-(2-fluorophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one?
The canonical SMILES for (3R)-1-(2-fluorophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one is Cc1ccc(C(=O)N2CCN(c3ccccc3F)C(=O)[C@H]2C)cc1.
What is the InChIKey of (3R)-1-(2-fluorophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one?
The InChIKey is MEFURGVDHLYZMP-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-13-7-9-15(10-8-13)19(24)21-11-12-22(18(23)14(21)2)17-6-4-3-5-16(17)20/h3-10,14H,11-12H2,1-2H3/t14-/m1/s1.
What are the key properties of (3R)-1-(2-fluorophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one?
(3R)-1-(2-fluorophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one has a molecular weight of 326.37 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-fluorophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one is sourced from PubChem (CID 93321676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).