(5S)-1-(3-chlorophenyl)-4-(3,5-difluorobenzoyl)-5-methylpiperazin-2-one

C18H15ClF2N2O2 — CID 96576956

IUPAC(5S)-1-(3-chlorophenyl)-4-(3,5-difluorobenzoyl)-5-methylpiperazin-2-one
SMILESC[C@H]1CN(c2cccc(Cl)c2)C(=O)CN1C(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C18H15ClF2N2O2/c1-11-9-23(16-4-2-3-13(19)7-16)17(24)10-22(11)18(25)12-5-14(20)8-15(21)6-12/h2-8,11H,9-10H2,1H3/t11-/m0/s1
InChIKeyBGAZWUJKDNUKPY-NSHDSACASA-N
MW364.78 g/mol
LogP3.50
Rot. Bonds2

About (5S)-1-(3-chlorophenyl)-4-(3,5-difluorobenzoyl)-5-methylpiperazin-2-one

(5S)-1-(3-chlorophenyl)-4-(3,5-difluorobenzoyl)-5-methylpiperazin-2-one (PubChem CID 96576956) has the molecular formula C18H15ClF2N2O2 and a molecular weight of 364.78 g/mol. Its IUPAC name is (5S)-1-(3-chlorophenyl)-4-(3,5-difluorobenzoyl)-5-methylpiperazin-2-one.

Molecular Properties

Compound Name(5S)-1-(3-chlorophenyl)-4-(3,5-difluorobenzoyl)-5-methylpiperazin-2-one
PubChem CID96576956
Molecular FormulaC18H15ClF2N2O2
Molecular Weight364.78 g/mol
Exact Mass364.08
IUPAC Name(5S)-1-(3-chlorophenyl)-4-(3,5-difluorobenzoyl)-5-methylpiperazin-2-one
SMILESC[C@H]1CN(c2cccc(Cl)c2)C(=O)CN1C(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C18H15ClF2N2O2/c1-11-9-23(16-4-2-3-13(19)7-16)17(24)10-22(11)18(25)12-5-14(20)8-15(21)6-12/h2-8,11H,9-10H2,1H3/t11-/m0/s1
InChIKeyBGAZWUJKDNUKPY-NSHDSACASA-N
XLogP3.50
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.78
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-4-(5-fluoro-2-methoxybenzoyl)-5-methylpiperazin-2-one
CID 70719490
4-(3,5-difluorobenzoyl)-5-methyl-1-(2-methylphenyl)piperazin-2-one
CID 70759120
(5R)-4-(3,5-difluorobenzoyl)-5-methyl-1-(2-methylphenyl)piperazin-2-one
CID 96578225
1-(3-chlorophenyl)-5-methyl-4-[2-(5-methylpyrazol-1-yl)acetyl]piperazin-2-one
CID 70709682
1-(3-chlorophenyl)-5-methyl-4-(5-propan-2-ylpyrazolidine-3-carbonyl)piperazin-2-one
CID 134063969
(5S)-1-(2-chlorophenyl)-4-(3-hydroxybenzoyl)-5-methylpiperazin-2-one
CID 96571770
1-(4-chlorophenyl)-5-methyl-4-(quinoline-3-carbonyl)piperazin-2-one
CID 70729577
(5S)-4-(2-fluoro-6-methoxybenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 97041649
1-(4-chlorophenyl)-5-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 70763084
2-[4-(3-chlorophenyl)-2-methyl-5-oxopiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 70719179
(5R)-4-[2-(4-fluorophenoxy)acetyl]-5-methyl-1-(3-methylphenyl)piperazin-2-one
CID 96572357
tert-butyl 4-(3-chlorophenyl)-5-oxo-2-(sulfanylmethyl)piperazine-1-carboxylate
CID 57007246

Frequently Asked Questions

What is the IUPAC name of (5S)-1-(3-chlorophenyl)-4-(3,5-difluorobenzoyl)-5-methylpiperazin-2-one?
The IUPAC name of (5S)-1-(3-chlorophenyl)-4-(3,5-difluorobenzoyl)-5-methylpiperazin-2-one (CID 96576956) is (5S)-1-(3-chlorophenyl)-4-(3,5-difluorobenzoyl)-5-methylpiperazin-2-one.
What is the SMILES notation for (5S)-1-(3-chlorophenyl)-4-(3,5-difluorobenzoyl)-5-methylpiperazin-2-one?
The canonical SMILES for (5S)-1-(3-chlorophenyl)-4-(3,5-difluorobenzoyl)-5-methylpiperazin-2-one is C[C@H]1CN(c2cccc(Cl)c2)C(=O)CN1C(=O)c1cc(F)cc(F)c1.
What is the InChIKey of (5S)-1-(3-chlorophenyl)-4-(3,5-difluorobenzoyl)-5-methylpiperazin-2-one?
The InChIKey is BGAZWUJKDNUKPY-NSHDSACASA-N. The full InChI is InChI=1S/C18H15ClF2N2O2/c1-11-9-23(16-4-2-3-13(19)7-16)17(24)10-22(11)18(25)12-5-14(20)8-15(21)6-12/h2-8,11H,9-10H2,1H3/t11-/m0/s1.
What are the key properties of (5S)-1-(3-chlorophenyl)-4-(3,5-difluorobenzoyl)-5-methylpiperazin-2-one?
(5S)-1-(3-chlorophenyl)-4-(3,5-difluorobenzoyl)-5-methylpiperazin-2-one has a molecular weight of 364.78 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-(3-chlorophenyl)-4-(3,5-difluorobenzoyl)-5-methylpiperazin-2-one is sourced from PubChem (CID 96576956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).