1-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]ethanone

C17H19N3O — CID 83120198

IUPAC1-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(c3ccccc3)CC2)cn1
InChIInChI=1S/C17H19N3O/c1-14(21)17-8-7-16(13-18-17)20-11-9-19(10-12-20)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3
InChIKeyNQXAFBSZXWOYJH-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.61
Rot. Bonds3

About 1-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]ethanone

1-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]ethanone (PubChem CID 83120198) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]ethanone
PubChem CID83120198
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(c3ccccc3)CC2)cn1
InChIInChI=1S/C17H19N3O/c1-14(21)17-8-7-16(13-18-17)20-11-9-19(10-12-20)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3
InChIKeyNQXAFBSZXWOYJH-UHFFFAOYSA-N
XLogP2.61
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]ethanone 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

1-(5-piperazin-1-yl-2-pyridinyl)ethanone
CID 79020099
[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182571
5-(4-phenylpiperazin-1-yl)-N-propylpyridine-2-carboxamide
CID 109179090
1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethanone
CID 83118736
N-(4-chlorophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109193461
1-[5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-pyridinyl]ethanone
CID 83118609
N-(2,3-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109193453
1-[5-(3-hydroxy-4-methylpiperidin-1-yl)-2-pyridinyl]ethanone
CID 102958776
N-[(2-methylphenyl)methyl]-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109188154
1-[5-(4-propylazepan-1-yl)-2-pyridinyl]ethanone
CID 83118890
1-[5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]ethanone
CID 114410234
N-[[1-(6-acetyl-3-pyridinyl)piperidin-4-yl]methyl]acetamide
CID 102736440

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]ethanone?
The IUPAC name of 1-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]ethanone (CID 83120198) is 1-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]ethanone?
The canonical SMILES for 1-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]ethanone is CC(=O)c1ccc(N2CCN(c3ccccc3)CC2)cn1.
What is the InChIKey of 1-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]ethanone?
The InChIKey is NQXAFBSZXWOYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-14(21)17-8-7-16(13-18-17)20-11-9-19(10-12-20)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3.
What are the key properties of 1-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]ethanone?
1-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]ethanone has a molecular weight of 281.36 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]ethanone is sourced from PubChem (CID 83120198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).