4-(6-phenylpyridine-3-carbonyl)piperazine-1-carbaldehyde

C17H17N3O2 — CID 110683635

IUPAC4-(6-phenylpyridine-3-carbonyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)c2ccc(-c3ccccc3)nc2)CC1
InChIInChI=1S/C17H17N3O2/c21-13-19-8-10-20(11-9-19)17(22)15-6-7-16(18-12-15)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2
InChIKeyACOHPPOVCYNNGC-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.66
Rot. Bonds3

About 4-(6-phenylpyridine-3-carbonyl)piperazine-1-carbaldehyde

4-(6-phenylpyridine-3-carbonyl)piperazine-1-carbaldehyde (PubChem CID 110683635) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-(6-phenylpyridine-3-carbonyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(6-phenylpyridine-3-carbonyl)piperazine-1-carbaldehyde
PubChem CID110683635
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name4-(6-phenylpyridine-3-carbonyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)c2ccc(-c3ccccc3)nc2)CC1
InChIInChI=1S/C17H17N3O2/c21-13-19-8-10-20(11-9-19)17(22)15-6-7-16(18-12-15)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2
InChIKeyACOHPPOVCYNNGC-UHFFFAOYSA-N
XLogP1.66
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-phenylbenzoyl)piperazine-1-carbaldehyde
CID 950270
(3-methylpiperidin-1-yl)-(6-phenyl-3-pyridinyl)methanone
CID 110683661
4-[6-[benzyl(propan-2-yl)amino]pyridine-3-carbonyl]piperazine-1-carbaldehyde
CID 109155012
4-(4-iodobenzoyl)piperazine-1-carbaldehyde
CID 875264
4-[4-(pyrrolidine-1-carbonyl)benzoyl]piperazine-1-carbaldehyde
CID 109044219
4-[5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carbaldehyde
CID 109254496
formamide;(6-phenyl-3-pyridinyl)-[4-[4-(trifluoromethoxy)anilino]piperidin-1-yl]methanone
CID 143880558
4-(4-fluorobenzoyl)piperazine-1-carbaldehyde
CID 2876745
phenyl-(6-phenyl-3-pyridinyl)methanone
CID 10890606
4-[2-[(3-methylphenyl)methylamino]pyrimidine-5-carbonyl]piperazine-1-carbaldehyde
CID 109254305
N-[3-[[5-(4-formylpiperazine-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide
CID 109155045
(4-cyclohexylpiperazin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone
CID 53149742

Frequently Asked Questions

What is the IUPAC name of 4-(6-phenylpyridine-3-carbonyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(6-phenylpyridine-3-carbonyl)piperazine-1-carbaldehyde (CID 110683635) is 4-(6-phenylpyridine-3-carbonyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(6-phenylpyridine-3-carbonyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(6-phenylpyridine-3-carbonyl)piperazine-1-carbaldehyde is O=CN1CCN(C(=O)c2ccc(-c3ccccc3)nc2)CC1.
What is the InChIKey of 4-(6-phenylpyridine-3-carbonyl)piperazine-1-carbaldehyde?
The InChIKey is ACOHPPOVCYNNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c21-13-19-8-10-20(11-9-19)17(22)15-6-7-16(18-12-15)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2.
What are the key properties of 4-(6-phenylpyridine-3-carbonyl)piperazine-1-carbaldehyde?
4-(6-phenylpyridine-3-carbonyl)piperazine-1-carbaldehyde has a molecular weight of 295.34 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-phenylpyridine-3-carbonyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 110683635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).