(5S)-4-[2-(difluoromethoxy)benzoyl]-5-methyl-1-(4-methylphenyl)piperazin-2-one

C20H20F2N2O3 — CID 96575172

IUPAC(5S)-4-[2-(difluoromethoxy)benzoyl]-5-methyl-1-(4-methylphenyl)piperazin-2-one
SMILESCc1ccc(N2C[C@H](C)N(C(=O)c3ccccc3OC(F)F)CC2=O)cc1
InChIInChI=1S/C20H20F2N2O3/c1-13-7-9-15(10-8-13)24-11-14(2)23(12-18(24)25)19(26)16-5-3-4-6-17(16)27-20(21)22/h3-10,14,20H,11-12H2,1-2H3/t14-/m0/s1
InChIKeyWHFUMPRANKJYHF-AWEZNQCLSA-N
MW374.39 g/mol
LogP3.47
Rot. Bonds4

About (5S)-4-[2-(difluoromethoxy)benzoyl]-5-methyl-1-(4-methylphenyl)piperazin-2-one

(5S)-4-[2-(difluoromethoxy)benzoyl]-5-methyl-1-(4-methylphenyl)piperazin-2-one (PubChem CID 96575172) has the molecular formula C20H20F2N2O3 and a molecular weight of 374.39 g/mol. Its IUPAC name is (5S)-4-[2-(difluoromethoxy)benzoyl]-5-methyl-1-(4-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name(5S)-4-[2-(difluoromethoxy)benzoyl]-5-methyl-1-(4-methylphenyl)piperazin-2-one
PubChem CID96575172
Molecular FormulaC20H20F2N2O3
Molecular Weight374.39 g/mol
Exact Mass374.14
IUPAC Name(5S)-4-[2-(difluoromethoxy)benzoyl]-5-methyl-1-(4-methylphenyl)piperazin-2-one
SMILESCc1ccc(N2C[C@H](C)N(C(=O)c3ccccc3OC(F)F)CC2=O)cc1
InChIInChI=1S/C20H20F2N2O3/c1-13-7-9-15(10-8-13)24-11-14(2)23(12-18(24)25)19(26)16-5-3-4-6-17(16)27-20(21)22/h3-10,14,20H,11-12H2,1-2H3/t14-/m0/s1
InChIKeyWHFUMPRANKJYHF-AWEZNQCLSA-N
XLogP3.47
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-4-(2-acetylbenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96577871
(5S)-4-(2-fluoro-6-methoxybenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 97041649
(5R)-4-(2-ethoxypyridine-3-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96580033
4-(2,3-dimethyl-1H-indole-7-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 70762552
(5S)-4-(2,3-dimethyl-1H-indole-7-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96578620
5-methyl-1-(4-methylphenyl)-4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-2-one
CID 70751338
(5S)-4-(2,5-dimethylbenzoyl)-1-(4-methoxyphenyl)-5-methylpiperazin-2-one
CID 96579712
(5S)-4-(2-hydroxy-3-methoxybenzoyl)-5-methyl-1-(3-methylphenyl)piperazin-2-one
CID 96579782
5-methyl-1-(4-methylphenyl)-4-(3-methylsulfonylpropanoyl)piperazin-2-one
CID 70759970
(5S)-4-(cyclopropanecarbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96576154
(5R)-5-methyl-1-(4-methylphenyl)-4-(pyrazine-2-carbonyl)piperazin-2-one
CID 96582107
(5R)-5-methyl-1-(4-methylphenyl)-4-(3-phenyl-1,2-oxazole-5-carbonyl)piperazin-2-one
CID 96577215

Frequently Asked Questions

What is the IUPAC name of (5S)-4-[2-(difluoromethoxy)benzoyl]-5-methyl-1-(4-methylphenyl)piperazin-2-one?
The IUPAC name of (5S)-4-[2-(difluoromethoxy)benzoyl]-5-methyl-1-(4-methylphenyl)piperazin-2-one (CID 96575172) is (5S)-4-[2-(difluoromethoxy)benzoyl]-5-methyl-1-(4-methylphenyl)piperazin-2-one.
What is the SMILES notation for (5S)-4-[2-(difluoromethoxy)benzoyl]-5-methyl-1-(4-methylphenyl)piperazin-2-one?
The canonical SMILES for (5S)-4-[2-(difluoromethoxy)benzoyl]-5-methyl-1-(4-methylphenyl)piperazin-2-one is Cc1ccc(N2C[C@H](C)N(C(=O)c3ccccc3OC(F)F)CC2=O)cc1.
What is the InChIKey of (5S)-4-[2-(difluoromethoxy)benzoyl]-5-methyl-1-(4-methylphenyl)piperazin-2-one?
The InChIKey is WHFUMPRANKJYHF-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H20F2N2O3/c1-13-7-9-15(10-8-13)24-11-14(2)23(12-18(24)25)19(26)16-5-3-4-6-17(16)27-20(21)22/h3-10,14,20H,11-12H2,1-2H3/t14-/m0/s1.
What are the key properties of (5S)-4-[2-(difluoromethoxy)benzoyl]-5-methyl-1-(4-methylphenyl)piperazin-2-one?
(5S)-4-[2-(difluoromethoxy)benzoyl]-5-methyl-1-(4-methylphenyl)piperazin-2-one has a molecular weight of 374.39 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-[2-(difluoromethoxy)benzoyl]-5-methyl-1-(4-methylphenyl)piperazin-2-one is sourced from PubChem (CID 96575172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).