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

C18H19ClN2O3 — CID 96578164

IUPAC(5S)-1-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-5-methylpiperazin-2-one
SMILESCc1cc(C(=O)N2CC(=O)N(c3ccc(Cl)cc3)C[C@@H]2C)c(C)o1
InChIInChI=1S/C18H19ClN2O3/c1-11-9-21(15-6-4-14(19)5-7-15)17(22)10-20(11)18(23)16-8-12(2)24-13(16)3/h4-8,11H,9-10H2,1-3H3/t11-/m0/s1
InChIKeyRLHGUISUUWROOD-NSHDSACASA-N
MW346.81 g/mol
LogP3.43
Rot. Bonds2

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

(5S)-1-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-5-methylpiperazin-2-one (PubChem CID 96578164) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is (5S)-1-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-5-methylpiperazin-2-one.

Molecular Properties

Compound Name(5S)-1-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-5-methylpiperazin-2-one
PubChem CID96578164
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name(5S)-1-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-5-methylpiperazin-2-one
SMILESCc1cc(C(=O)N2CC(=O)N(c3ccc(Cl)cc3)C[C@@H]2C)c(C)o1
InChIInChI=1S/C18H19ClN2O3/c1-11-9-21(15-6-4-14(19)5-7-15)17(22)10-20(11)18(23)16-8-12(2)24-13(16)3/h4-8,11H,9-10H2,1-3H3/t11-/m0/s1
InChIKeyRLHGUISUUWROOD-NSHDSACASA-N
XLogP3.43
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5S)-1-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-5-methylpiperazin-2-one with MolForge

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Related Compounds

1-(4-chlorophenyl)-5-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-2-one
CID 70775777
1-(4-chlorophenyl)-5-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 70763084
(2,5-dimethylfuran-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 128927247
(5S)-4-(2,5-dimethylbenzoyl)-1-(4-methoxyphenyl)-5-methylpiperazin-2-one
CID 96579712
1-(4-chlorophenyl)-5-methyl-4-(quinoline-3-carbonyl)piperazin-2-one
CID 70729577
(5S)-4-(2-acetylbenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96577871
1-(4-chlorophenyl)-4-[2-(2-methoxyethoxy)acetyl]-5-methylpiperazin-2-one
CID 70755323
3-[2-[(2R)-4-(4-chlorophenyl)-2-methyl-5-oxopiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 96579942
(5S)-4-(1,3-benzodioxole-5-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96574586
(2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705081
5-[(2S)-2-methyl-4-(4-methylphenyl)-5-oxopiperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 96576291
(2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 35523795

Frequently Asked Questions

What is the IUPAC name of (5S)-1-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-5-methylpiperazin-2-one?
The IUPAC name of (5S)-1-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-5-methylpiperazin-2-one (CID 96578164) is (5S)-1-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-5-methylpiperazin-2-one.
What is the SMILES notation for (5S)-1-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-5-methylpiperazin-2-one?
The canonical SMILES for (5S)-1-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-5-methylpiperazin-2-one is Cc1cc(C(=O)N2CC(=O)N(c3ccc(Cl)cc3)C[C@@H]2C)c(C)o1.
What is the InChIKey of (5S)-1-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-5-methylpiperazin-2-one?
The InChIKey is RLHGUISUUWROOD-NSHDSACASA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-11-9-21(15-6-4-14(19)5-7-15)17(22)10-20(11)18(23)16-8-12(2)24-13(16)3/h4-8,11H,9-10H2,1-3H3/t11-/m0/s1.
What are the key properties of (5S)-1-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-5-methylpiperazin-2-one?
(5S)-1-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-5-methylpiperazin-2-one has a molecular weight of 346.81 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-5-methylpiperazin-2-one is sourced from PubChem (CID 96578164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).