(3S)-1-(2-fluoro-5-methylphenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one

C20H21FN2O3 — CID 93321433

IUPAC(3S)-1-(2-fluoro-5-methylphenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one
SMILESCOc1cccc(C(=O)N2CCN(c3cc(C)ccc3F)C(=O)[C@@H]2C)c1
InChIInChI=1S/C20H21FN2O3/c1-13-7-8-17(21)18(11-13)23-10-9-22(14(2)19(23)24)20(25)15-5-4-6-16(12-15)26-3/h4-8,11-12,14H,9-10H2,1-3H3/t14-/m0/s1
InChIKeyGSFCDADQJYPYEU-AWEZNQCLSA-N
MW356.40 g/mol
LogP3.02
Rot. Bonds3

About (3S)-1-(2-fluoro-5-methylphenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one

(3S)-1-(2-fluoro-5-methylphenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one (PubChem CID 93321433) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is (3S)-1-(2-fluoro-5-methylphenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name(3S)-1-(2-fluoro-5-methylphenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one
PubChem CID93321433
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name(3S)-1-(2-fluoro-5-methylphenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one
SMILESCOc1cccc(C(=O)N2CCN(c3cc(C)ccc3F)C(=O)[C@@H]2C)c1
InChIInChI=1S/C20H21FN2O3/c1-13-7-8-17(21)18(11-13)23-10-9-22(14(2)19(23)24)20(25)15-5-4-6-16(12-15)26-3/h4-8,11-12,14H,9-10H2,1-3H3/t14-/m0/s1
InChIKeyGSFCDADQJYPYEU-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

1-(3-methoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one
CID 24715974
4-acetyl-1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one
CID 24715869
1-(4-methoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one
CID 42847321
(3S)-1-(2-fluoro-5-methylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 93292476
1-(2,4-dimethylphenyl)-4-(3-fluorobenzoyl)-3-methylpiperazin-2-one
CID 24716392
1-(4-bromophenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one
CID 71954781
4-(4-chlorobenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
CID 46036252
1-(4-ethylphenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one
CID 46036089
(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
1-(5-chloro-2-methylphenyl)-4-(3,5-dimethoxybenzoyl)-3-methylpiperazin-2-one
CID 46036357
1-(2-fluoro-5-methylphenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one
CID 46036097

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-fluoro-5-methylphenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one?
The IUPAC name of (3S)-1-(2-fluoro-5-methylphenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one (CID 93321433) is (3S)-1-(2-fluoro-5-methylphenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one.
What is the SMILES notation for (3S)-1-(2-fluoro-5-methylphenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one?
The canonical SMILES for (3S)-1-(2-fluoro-5-methylphenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one is COc1cccc(C(=O)N2CCN(c3cc(C)ccc3F)C(=O)[C@@H]2C)c1.
What is the InChIKey of (3S)-1-(2-fluoro-5-methylphenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one?
The InChIKey is GSFCDADQJYPYEU-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-13-7-8-17(21)18(11-13)23-10-9-22(14(2)19(23)24)20(25)15-5-4-6-16(12-15)26-3/h4-8,11-12,14H,9-10H2,1-3H3/t14-/m0/s1.
What are the key properties of (3S)-1-(2-fluoro-5-methylphenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one?
(3S)-1-(2-fluoro-5-methylphenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-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 (3S)-1-(2-fluoro-5-methylphenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 93321433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).