2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-pyridin-4-one

C17H19N3O3 — CID 110856456

IUPAC2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-pyridin-4-one
SMILESCOc1ccc(N2CCN(C(=O)c3cc(=O)cc[nH]3)CC2)cc1
InChIInChI=1S/C17H19N3O3/c1-23-15-4-2-13(3-5-15)19-8-10-20(11-9-19)17(22)16-12-14(21)6-7-18-16/h2-7,12H,8-11H2,1H3,(H,18,21)
InChIKeyPDZZYDFHUBMMSX-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.35
Rot. Bonds3

About 2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-pyridin-4-one

2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-pyridin-4-one (PubChem CID 110856456) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-pyridin-4-one
PubChem CID110856456
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-pyridin-4-one
SMILESCOc1ccc(N2CCN(C(=O)c3cc(=O)cc[nH]3)CC2)cc1
InChIInChI=1S/C17H19N3O3/c1-23-15-4-2-13(3-5-15)19-8-10-20(11-9-19)17(22)16-12-14(21)6-7-18-16/h2-7,12H,8-11H2,1H3,(H,18,21)
InChIKeyPDZZYDFHUBMMSX-UHFFFAOYSA-N
XLogP1.35
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(4-methoxyphenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 51211150
(6-methoxy-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 4909282
(2,6-dimethoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 113077374
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 137147289
[4-(4-methoxyphenyl)piperazin-1-yl]-(6-methyl-1H-indol-2-yl)methanone
CID 113207332
(4-bromo-3,5-dimethoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 55413833
(2-methoxy-5-methylphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 51211149
[4-(4-methoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 51046465
(2,6-difluorophenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 896999
(2-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 937879
(5-methoxy-1H-indol-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 113206035
[4-(4-methoxyphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 1244092

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-pyridin-4-one?
The IUPAC name of 2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-pyridin-4-one (CID 110856456) is 2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-pyridin-4-one.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-pyridin-4-one?
The canonical SMILES for 2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-pyridin-4-one is COc1ccc(N2CCN(C(=O)c3cc(=O)cc[nH]3)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-pyridin-4-one?
The InChIKey is PDZZYDFHUBMMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-23-15-4-2-13(3-5-15)19-8-10-20(11-9-19)17(22)16-12-14(21)6-7-18-16/h2-7,12H,8-11H2,1H3,(H,18,21).
What are the key properties of 2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-pyridin-4-one?
2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-pyridin-4-one has a molecular weight of 313.36 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-pyridin-4-one is sourced from PubChem (CID 110856456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).