4-[5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carbonyl]piperazine-1-carbaldehyde

C20H24N6O2 — CID 109186951

IUPAC4-[5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carbonyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)c2ccc(N3CCN(c4ccccn4)CC3)cn2)CC1
InChIInChI=1S/C20H24N6O2/c27-16-23-7-9-26(10-8-23)20(28)18-5-4-17(15-22-18)24-11-13-25(14-12-24)19-3-1-2-6-21-19/h1-6,15-16H,7-14H2
InChIKeyWVPHDKIHBHUXTF-UHFFFAOYSA-N
MW380.45 g/mol
LogP0.72
Rot. Bonds4

About 4-[5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carbonyl]piperazine-1-carbaldehyde

4-[5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carbonyl]piperazine-1-carbaldehyde (PubChem CID 109186951) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 4-[5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carbonyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carbonyl]piperazine-1-carbaldehyde
PubChem CID109186951
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name4-[5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carbonyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)c2ccc(N3CCN(c4ccccn4)CC3)cn2)CC1
InChIInChI=1S/C20H24N6O2/c27-16-23-7-9-26(10-8-23)20(28)18-5-4-17(15-22-18)24-11-13-25(14-12-24)19-3-1-2-6-21-19/h1-6,15-16H,7-14H2
InChIKeyWVPHDKIHBHUXTF-UHFFFAOYSA-N
XLogP0.72
TPSA72.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carbonyl]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

4-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109116967
4-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109345747
4-[5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carbaldehyde
CID 109254495
4-pyridin-2-ylpiperazine-1-carbaldehyde;hydrochloride
CID 135186029
4-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109278769
(5-phenyl-2-pyridinyl)-(4-pyridin-2-yl-1,4-diazepan-1-yl)methanone
CID 167843840
[5-(azepan-1-yl)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109194519
(5-morpholin-4-ylpyrazin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109276621
5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carbothioamide
CID 115488135
4-[5-(3-methylpiperidin-1-yl)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109186964
(4-pyridin-2-ylpiperazin-1-yl)-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203865
4-[6-(4-phenylpiperazine-1-carbonyl)pyridazin-3-yl]piperazine-1-carbaldehyde
CID 109116803

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carbonyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carbonyl]piperazine-1-carbaldehyde (CID 109186951) is 4-[5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carbonyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carbonyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carbonyl]piperazine-1-carbaldehyde is O=CN1CCN(C(=O)c2ccc(N3CCN(c4ccccn4)CC3)cn2)CC1.
What is the InChIKey of 4-[5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carbonyl]piperazine-1-carbaldehyde?
The InChIKey is WVPHDKIHBHUXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c27-16-23-7-9-26(10-8-23)20(28)18-5-4-17(15-22-18)24-11-13-25(14-12-24)19-3-1-2-6-21-19/h1-6,15-16H,7-14H2.
What are the key properties of 4-[5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carbonyl]piperazine-1-carbaldehyde?
4-[5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carbonyl]piperazine-1-carbaldehyde has a molecular weight of 380.45 g/mol, XLogP of 0.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carbonyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 109186951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).