1-(3-chlorophenyl)-4-(4,6-dimethylpyridine-3-carbonyl)piperazin-2-one

C18H18ClN3O2 — CID 70774451

IUPAC1-(3-chlorophenyl)-4-(4,6-dimethylpyridine-3-carbonyl)piperazin-2-one
SMILESCc1cc(C)c(C(=O)N2CCN(c3cccc(Cl)c3)C(=O)C2)cn1
InChIInChI=1S/C18H18ClN3O2/c1-12-8-13(2)20-10-16(12)18(24)21-6-7-22(17(23)11-21)15-5-3-4-14(19)9-15/h3-5,8-10H,6-7,11H2,1-2H3
InChIKeyZPOCBBMUJACIRY-UHFFFAOYSA-N
MW343.81 g/mol
LogP2.84
Rot. Bonds2

About 1-(3-chlorophenyl)-4-(4,6-dimethylpyridine-3-carbonyl)piperazin-2-one

1-(3-chlorophenyl)-4-(4,6-dimethylpyridine-3-carbonyl)piperazin-2-one (PubChem CID 70774451) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-(4,6-dimethylpyridine-3-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-(4,6-dimethylpyridine-3-carbonyl)piperazin-2-one
PubChem CID70774451
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name1-(3-chlorophenyl)-4-(4,6-dimethylpyridine-3-carbonyl)piperazin-2-one
SMILESCc1cc(C)c(C(=O)N2CCN(c3cccc(Cl)c3)C(=O)C2)cn1
InChIInChI=1S/C18H18ClN3O2/c1-12-8-13(2)20-10-16(12)18(24)21-6-7-22(17(23)11-21)15-5-3-4-14(19)9-15/h3-5,8-10H,6-7,11H2,1-2H3
InChIKeyZPOCBBMUJACIRY-UHFFFAOYSA-N
XLogP2.84
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-4-(1-methylpyrrole-2-carbonyl)piperazin-2-one
CID 70775735
1-(3-chlorophenyl)-4-(7-methyl-1-benzofuran-2-carbonyl)piperazin-2-one
CID 70785542
1-(3-chlorophenyl)-4-[4-[2-hydroxyethyl(methyl)amino]benzoyl]piperazin-2-one
CID 70720509
1-(3-chlorophenyl)-4-(2-hydroxynaphthalene-1-carbonyl)piperazin-2-one
CID 70711142
1-(3-chlorophenyl)-4-[1-(trifluoromethyl)cyclobutanecarbonyl]piperazin-2-one
CID 171676116
4-(6-aminopyridine-3-carbonyl)-1-(3-methoxyphenyl)piperazin-2-one
CID 70717844
4-[2-(benzimidazol-1-yl)acetyl]-1-(3-chlorophenyl)piperazin-2-one
CID 70707147
4-(3-chlorobenzoyl)-1-phenyl-1,4-diazepan-2-one
CID 110873861
4-[2-(3-chlorophenyl)acetyl]-1-phenylpiperazin-2-one
CID 110708429
1-(3-methoxyphenyl)-4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-2-one
CID 70788872
4-(2,6-difluoro-3-methylbenzoyl)-1-phenylpiperazin-2-one
CID 70755852
4-(3-hydroxy-2-methylbenzoyl)-1-(4-methylphenyl)piperazin-2-one
CID 70717876

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-(4,6-dimethylpyridine-3-carbonyl)piperazin-2-one?
The IUPAC name of 1-(3-chlorophenyl)-4-(4,6-dimethylpyridine-3-carbonyl)piperazin-2-one (CID 70774451) is 1-(3-chlorophenyl)-4-(4,6-dimethylpyridine-3-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-4-(4,6-dimethylpyridine-3-carbonyl)piperazin-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-4-(4,6-dimethylpyridine-3-carbonyl)piperazin-2-one is Cc1cc(C)c(C(=O)N2CCN(c3cccc(Cl)c3)C(=O)C2)cn1.
What is the InChIKey of 1-(3-chlorophenyl)-4-(4,6-dimethylpyridine-3-carbonyl)piperazin-2-one?
The InChIKey is ZPOCBBMUJACIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c1-12-8-13(2)20-10-16(12)18(24)21-6-7-22(17(23)11-21)15-5-3-4-14(19)9-15/h3-5,8-10H,6-7,11H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-4-(4,6-dimethylpyridine-3-carbonyl)piperazin-2-one?
1-(3-chlorophenyl)-4-(4,6-dimethylpyridine-3-carbonyl)piperazin-2-one has a molecular weight of 343.81 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-(4,6-dimethylpyridine-3-carbonyl)piperazin-2-one is sourced from PubChem (CID 70774451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).