(5S)-4-(2-fluoro-6-methoxybenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one

C20H21FN2O3 — CID 97041649

IUPAC(5S)-4-(2-fluoro-6-methoxybenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
SMILESCOc1cccc(F)c1C(=O)N1CC(=O)N(c2ccc(C)cc2)C[C@@H]1C
InChIInChI=1S/C20H21FN2O3/c1-13-7-9-15(10-8-13)23-11-14(2)22(12-18(23)24)20(25)19-16(21)5-4-6-17(19)26-3/h4-10,14H,11-12H2,1-3H3/t14-/m0/s1
InChIKeyRXZDAPJLLWRZON-AWEZNQCLSA-N
MW356.40 g/mol
LogP3.02
Rot. Bonds3

About (5S)-4-(2-fluoro-6-methoxybenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one

(5S)-4-(2-fluoro-6-methoxybenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one (PubChem CID 97041649) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is (5S)-4-(2-fluoro-6-methoxybenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name(5S)-4-(2-fluoro-6-methoxybenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
PubChem CID97041649
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name(5S)-4-(2-fluoro-6-methoxybenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
SMILESCOc1cccc(F)c1C(=O)N1CC(=O)N(c2ccc(C)cc2)C[C@@H]1C
InChIInChI=1S/C20H21FN2O3/c1-13-7-9-15(10-8-13)23-11-14(2)22(12-18(23)24)20(25)19-16(21)5-4-6-17(19)26-3/h4-10,14H,11-12H2,1-3H3/t14-/m0/s1
InChIKeyRXZDAPJLLWRZON-AWEZNQCLSA-N
XLogP3.02
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-4-[2-(difluoromethoxy)benzoyl]-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96575172
(5S)-4-[(2,6-dimethoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96578307
1-(3-chlorophenyl)-4-(5-fluoro-2-methoxybenzoyl)-5-methylpiperazin-2-one
CID 70719490
(5S)-4-(2-methoxypyridine-4-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96582112
(5S)-4-(2-hydroxy-3-methoxybenzoyl)-5-methyl-1-(3-methylphenyl)piperazin-2-one
CID 96579782
(5S)-4-(2-acetylbenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96577871
(5S)-4-(2,5-dimethylbenzoyl)-1-(4-methoxyphenyl)-5-methylpiperazin-2-one
CID 96579712
(5S)-4-(cyclopropanecarbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96576154
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
(5R)-5-methyl-1-(4-methylphenyl)-4-(pyrazine-2-carbonyl)piperazin-2-one
CID 96582107
5-[(2S)-2-methyl-4-(4-methylphenyl)-5-oxopiperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 96576291

Frequently Asked Questions

What is the IUPAC name of (5S)-4-(2-fluoro-6-methoxybenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one?
The IUPAC name of (5S)-4-(2-fluoro-6-methoxybenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one (CID 97041649) is (5S)-4-(2-fluoro-6-methoxybenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one.
What is the SMILES notation for (5S)-4-(2-fluoro-6-methoxybenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one?
The canonical SMILES for (5S)-4-(2-fluoro-6-methoxybenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one is COc1cccc(F)c1C(=O)N1CC(=O)N(c2ccc(C)cc2)C[C@@H]1C.
What is the InChIKey of (5S)-4-(2-fluoro-6-methoxybenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one?
The InChIKey is RXZDAPJLLWRZON-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-13-7-9-15(10-8-13)23-11-14(2)22(12-18(23)24)20(25)19-16(21)5-4-6-17(19)26-3/h4-10,14H,11-12H2,1-3H3/t14-/m0/s1.
What are the key properties of (5S)-4-(2-fluoro-6-methoxybenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one?
(5S)-4-(2-fluoro-6-methoxybenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one has a molecular weight of 356.40 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-(2-fluoro-6-methoxybenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one is sourced from PubChem (CID 97041649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).