4-(2-phenyl-2-pyridin-2-ylacetyl)piperazine-1-carbaldehyde

C18H19N3O2 — CID 110373346

IUPAC4-(2-phenyl-2-pyridin-2-ylacetyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)C(c2ccccc2)c2ccccn2)CC1
InChIInChI=1S/C18H19N3O2/c22-14-20-10-12-21(13-11-20)18(23)17(15-6-2-1-3-7-15)16-8-4-5-9-19-16/h1-9,14,17H,10-13H2
InChIKeyWOWHUSAJIGNLNQ-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.51
Rot. Bonds4

About 4-(2-phenyl-2-pyridin-2-ylacetyl)piperazine-1-carbaldehyde

4-(2-phenyl-2-pyridin-2-ylacetyl)piperazine-1-carbaldehyde (PubChem CID 110373346) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-(2-phenyl-2-pyridin-2-ylacetyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(2-phenyl-2-pyridin-2-ylacetyl)piperazine-1-carbaldehyde
PubChem CID110373346
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name4-(2-phenyl-2-pyridin-2-ylacetyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)C(c2ccccc2)c2ccccn2)CC1
InChIInChI=1S/C18H19N3O2/c22-14-20-10-12-21(13-11-20)18(23)17(15-6-2-1-3-7-15)16-8-4-5-9-19-16/h1-9,14,17H,10-13H2
InChIKeyWOWHUSAJIGNLNQ-UHFFFAOYSA-N
XLogP1.51
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-(2-phenyl-2-pyridin-2-ylacetyl)piperazine-1-carbaldehyde 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

2-phenyl-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone
CID 110373332
2-(4-fluorophenyl)-1-(4-phenylpiperazin-1-yl)-2-pyridin-2-ylethanone
CID 110373554
2-(4-methylphenyl)-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone
CID 110373433
2,2-diphenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 3636025
1-[4-(2,2-diphenylacetyl)-1,4-diazepan-1-yl]-2,2-diphenylethanone
CID 5069183
(2R)-1-(2-fluorophenyl)-2-phenyl-2-pyridin-2-ylethanone
CID 129396293
N,2-diphenyl-2-pyridin-2-ylacetamide
CID 110373388
4-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoacetyl]piperazine-1-carbaldehyde
CID 108504777
2-(2-methylphenyl)-1-(4-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 110373483
(2R)-1-(4-fluorophenyl)-2-phenyl-2-pyridin-2-ylethanone
CID 129396295
ethyl 2-phenyl-2-pyridin-2-ylacetate
CID 10752615
1-[4-[(2R)-3-chloro-2-hydroxypropyl]piperazin-1-yl]-2,2-diphenylethanone
CID 139637301

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenyl-2-pyridin-2-ylacetyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(2-phenyl-2-pyridin-2-ylacetyl)piperazine-1-carbaldehyde (CID 110373346) is 4-(2-phenyl-2-pyridin-2-ylacetyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(2-phenyl-2-pyridin-2-ylacetyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(2-phenyl-2-pyridin-2-ylacetyl)piperazine-1-carbaldehyde is O=CN1CCN(C(=O)C(c2ccccc2)c2ccccn2)CC1.
What is the InChIKey of 4-(2-phenyl-2-pyridin-2-ylacetyl)piperazine-1-carbaldehyde?
The InChIKey is WOWHUSAJIGNLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c22-14-20-10-12-21(13-11-20)18(23)17(15-6-2-1-3-7-15)16-8-4-5-9-19-16/h1-9,14,17H,10-13H2.
What are the key properties of 4-(2-phenyl-2-pyridin-2-ylacetyl)piperazine-1-carbaldehyde?
4-(2-phenyl-2-pyridin-2-ylacetyl)piperazine-1-carbaldehyde has a molecular weight of 309.37 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenyl-2-pyridin-2-ylacetyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 110373346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).