5-[3-(4-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-1-methylpyridin-2-one

C19H23N3O3 — CID 110109723

IUPAC5-[3-(4-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-1-methylpyridin-2-one
SMILESCOc1ccc(C2CN(C(=O)c3ccc(=O)n(C)c3)CCN2C)cc1
InChIInChI=1S/C19H23N3O3/c1-20-10-11-22(19(24)15-6-9-18(23)21(2)12-15)13-17(20)14-4-7-16(25-3)8-5-14/h4-9,12,17H,10-11,13H2,1-3H3
InChIKeyVPSFZVKYXRRCQO-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.52
Rot. Bonds3

About 5-[3-(4-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-1-methylpyridin-2-one

5-[3-(4-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 110109723) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 5-[3-(4-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[3-(4-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-1-methylpyridin-2-one
PubChem CID110109723
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name5-[3-(4-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-1-methylpyridin-2-one
SMILESCOc1ccc(C2CN(C(=O)c3ccc(=O)n(C)c3)CCN2C)cc1
InChIInChI=1S/C19H23N3O3/c1-20-10-11-22(19(24)15-6-9-18(23)21(2)12-15)13-17(20)14-4-7-16(25-3)8-5-14/h4-9,12,17H,10-11,13H2,1-3H3
InChIKeyVPSFZVKYXRRCQO-UHFFFAOYSA-N
XLogP1.52
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-thiophen-3-ylmethanone
CID 110109712
[(3R)-3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 124953934
(1,3-dimethylpyrazol-4-yl)-[(3R)-3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 124977561
6-[3-(4-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 110109729
[3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-(1,3-oxazol-5-yl)methanone
CID 110098385
[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-pyridin-4-ylmethanone
CID 84513587
(2,6-dimethoxyphenyl)-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 110293276
[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110416916
1-methyl-5-(3-propanoylimidazolidine-1-carbonyl)pyridin-2-one
CID 128893120
(4-methoxy-2-pyridinyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 90652453
5-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 70717882
(4-methyl-3-phenylpiperazin-1-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 110416835

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 5-[3-(4-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-1-methylpyridin-2-one (CID 110109723) is 5-[3-(4-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[3-(4-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[3-(4-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-1-methylpyridin-2-one is COc1ccc(C2CN(C(=O)c3ccc(=O)n(C)c3)CCN2C)cc1.
What is the InChIKey of 5-[3-(4-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-1-methylpyridin-2-one?
The InChIKey is VPSFZVKYXRRCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-20-10-11-22(19(24)15-6-9-18(23)21(2)12-15)13-17(20)14-4-7-16(25-3)8-5-14/h4-9,12,17H,10-11,13H2,1-3H3.
What are the key properties of 5-[3-(4-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-1-methylpyridin-2-one?
5-[3-(4-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-1-methylpyridin-2-one has a molecular weight of 341.41 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 110109723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).