5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one

C19H23N3O2 — CID 110693026

IUPAC5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one
SMILESCc1cccc(N2CCN(C(=O)c3ccc(=O)n(C)c3)CC2)c1C
InChIInChI=1S/C19H23N3O2/c1-14-5-4-6-17(15(14)2)21-9-11-22(12-10-21)19(24)16-7-8-18(23)20(3)13-16/h4-8,13H,9-12H2,1-3H3
InChIKeyWLGTVPNMVSADJS-UHFFFAOYSA-N
MW325.41 g/mol
LogP1.96
Rot. Bonds2

About 5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one

5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 110693026) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one
PubChem CID110693026
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one
SMILESCc1cccc(N2CCN(C(=O)c3ccc(=O)n(C)c3)CC2)c1C
InChIInChI=1S/C19H23N3O2/c1-14-5-4-6-17(15(14)2)21-9-11-22(12-10-21)19(24)16-7-8-18(23)20(3)13-16/h4-8,13H,9-12H2,1-3H3
InChIKeyWLGTVPNMVSADJS-UHFFFAOYSA-N
XLogP1.96
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 1221745
(4-aminophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 28722555
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 673636
5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
CID 84556281
(3-amino-4-methylphenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 28723517
4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]benzonitrile
CID 2426903
(3,5-dichlorophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 26881725
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 17471283
N-butan-2-yl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]benzamide
CID 109044078
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 110854409
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone
CID 2932834
(2-amino-4-pyridinyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 110854415

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one (CID 110693026) is 5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one is Cc1cccc(N2CCN(C(=O)c3ccc(=O)n(C)c3)CC2)c1C.
What is the InChIKey of 5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one?
The InChIKey is WLGTVPNMVSADJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14-5-4-6-17(15(14)2)21-9-11-22(12-10-21)19(24)16-7-8-18(23)20(3)13-16/h4-8,13H,9-12H2,1-3H3.
What are the key properties of 5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one?
5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one has a molecular weight of 325.41 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 110693026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).