4-[4-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-2-carbonyl]piperazine-1-carbaldehyde

C21H24FN5O2 — CID 109208746

IUPAC4-[4-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-2-carbonyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)c2cc(N3CCN(c4ccccc4F)CC3)ccn2)CC1
InChIInChI=1S/C21H24FN5O2/c22-18-3-1-2-4-20(18)26-13-11-25(12-14-26)17-5-6-23-19(15-17)21(29)27-9-7-24(16-28)8-10-27/h1-6,15-16H,7-14H2
InChIKeyIXLBHKLHWLQGAQ-UHFFFAOYSA-N
MW397.45 g/mol
LogP1.46
Rot. Bonds4

About 4-[4-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-2-carbonyl]piperazine-1-carbaldehyde

4-[4-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-2-carbonyl]piperazine-1-carbaldehyde (PubChem CID 109208746) has the molecular formula C21H24FN5O2 and a molecular weight of 397.45 g/mol. Its IUPAC name is 4-[4-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-2-carbonyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[4-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-2-carbonyl]piperazine-1-carbaldehyde
PubChem CID109208746
Molecular FormulaC21H24FN5O2
Molecular Weight397.45 g/mol
Exact Mass397.19
IUPAC Name4-[4-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-2-carbonyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)c2cc(N3CCN(c4ccccc4F)CC3)ccn2)CC1
InChIInChI=1S/C21H24FN5O2/c22-18-3-1-2-4-20(18)26-13-11-25(12-14-26)17-5-6-23-19(15-17)21(29)27-9-7-24(16-28)8-10-27/h1-6,15-16H,7-14H2
InChIKeyIXLBHKLHWLQGAQ-UHFFFAOYSA-N
XLogP1.46
TPSA59.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[4-[4-(2-fluorophenyl)piperazin-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-[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]piperazine-1-carbaldehyde
CID 109208886
4-[2-(azepane-1-carbonyl)-4-pyridinyl]piperazine-1-carbaldehyde
CID 109208915
N-(2,6-difluorophenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109209004
[4-(2-fluorophenyl)piperazin-1-yl]-[4-(prop-2-enylamino)-2-pyridinyl]methanone
CID 109202334
[4-(2-fluorophenyl)piperazin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 110693755
[4-(azepan-1-yl)-2-pyridinyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 109216068
N-[2-(dimethylamino)ethyl]-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-4-carboxamide
CID 109083438
4-[2-(4-phenylpiperazin-1-yl)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109302856
4-[6-(4-phenylpiperazin-1-yl)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109345734
[2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302241
4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109213263
pyrrolidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 10776780

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-2-carbonyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[4-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-2-carbonyl]piperazine-1-carbaldehyde (CID 109208746) is 4-[4-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-2-carbonyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[4-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-2-carbonyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[4-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-2-carbonyl]piperazine-1-carbaldehyde is O=CN1CCN(C(=O)c2cc(N3CCN(c4ccccc4F)CC3)ccn2)CC1.
What is the InChIKey of 4-[4-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-2-carbonyl]piperazine-1-carbaldehyde?
The InChIKey is IXLBHKLHWLQGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O2/c22-18-3-1-2-4-20(18)26-13-11-25(12-14-26)17-5-6-23-19(15-17)21(29)27-9-7-24(16-28)8-10-27/h1-6,15-16H,7-14H2.
What are the key properties of 4-[4-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-2-carbonyl]piperazine-1-carbaldehyde?
4-[4-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-2-carbonyl]piperazine-1-carbaldehyde has a molecular weight of 397.45 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-2-carbonyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 109208746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).