4-[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]piperazine-1-carbaldehyde

C21H25N5O2 — CID 109208886

IUPAC4-[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(c2ccnc(C(=O)N3CCN(c4ccccc4)CC3)c2)CC1
InChIInChI=1S/C21H25N5O2/c27-17-23-8-10-25(11-9-23)19-6-7-22-20(16-19)21(28)26-14-12-24(13-15-26)18-4-2-1-3-5-18/h1-7,16-17H,8-15H2
InChIKeyGNEVTDZDJTWBTO-UHFFFAOYSA-N
MW379.46 g/mol
LogP1.32
Rot. Bonds4

About 4-[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]piperazine-1-carbaldehyde

4-[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]piperazine-1-carbaldehyde (PubChem CID 109208886) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]piperazine-1-carbaldehyde
PubChem CID109208886
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name4-[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(c2ccnc(C(=O)N3CCN(c4ccccc4)CC3)c2)CC1
InChIInChI=1S/C21H25N5O2/c27-17-23-8-10-25(11-9-23)19-6-7-22-20(16-19)21(28)26-14-12-24(13-15-26)18-4-2-1-3-5-18/h1-7,16-17H,8-15H2
InChIKeyGNEVTDZDJTWBTO-UHFFFAOYSA-N
XLogP1.32
TPSA59.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(azepane-1-carbonyl)-4-pyridinyl]piperazine-1-carbaldehyde
CID 109208915
4-[4-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109208746
4-[6-(4-phenylpiperazin-1-yl)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109345734
4-[2-(4-phenylpiperazin-1-yl)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109302856
(4-phenylpiperazin-1-yl)-(4-pyrrol-1-yl-2-pyridinyl)methanone
CID 71801413
[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080358
4-[6-(4-phenylpiperazine-1-carbonyl)pyridazin-3-yl]piperazine-1-carbaldehyde
CID 109116803
4-[2-oxo-2-(4-phenylpiperazin-1-yl)acetyl]piperazine-1-carbaldehyde
CID 108530923
1-[4-(4-morpholin-4-ylpyridine-2-carbonyl)piperazin-1-yl]ethanone
CID 109206574
4-[6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109345744
pyrrolidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 10776780
(4-pyridin-2-ylpiperazin-1-yl)-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203865

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]piperazine-1-carbaldehyde (CID 109208886) is 4-[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]piperazine-1-carbaldehyde is O=CN1CCN(c2ccnc(C(=O)N3CCN(c4ccccc4)CC3)c2)CC1.
What is the InChIKey of 4-[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]piperazine-1-carbaldehyde?
The InChIKey is GNEVTDZDJTWBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c27-17-23-8-10-25(11-9-23)19-6-7-22-20(16-19)21(28)26-14-12-24(13-15-26)18-4-2-1-3-5-18/h1-7,16-17H,8-15H2.
What are the key properties of 4-[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]piperazine-1-carbaldehyde?
4-[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]piperazine-1-carbaldehyde has a molecular weight of 379.46 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 109208886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).