4-(4-phenylbenzoyl)piperazine-1-carbaldehyde

C18H18N2O2 — CID 950270

IUPAC4-(4-phenylbenzoyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C18H18N2O2/c21-14-19-10-12-20(13-11-19)18(22)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,14H,10-13H2
InChIKeyKFNZJNJPGOFUMM-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.27
Rot. Bonds3

About 4-(4-phenylbenzoyl)piperazine-1-carbaldehyde

4-(4-phenylbenzoyl)piperazine-1-carbaldehyde (PubChem CID 950270) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-(4-phenylbenzoyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(4-phenylbenzoyl)piperazine-1-carbaldehyde
PubChem CID950270
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name4-(4-phenylbenzoyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C18H18N2O2/c21-14-19-10-12-20(13-11-19)18(22)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,14H,10-13H2
InChIKeyKFNZJNJPGOFUMM-UHFFFAOYSA-N
XLogP2.27
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(4-phenylbenzoyl)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-[4-(pyrrolidine-1-carbonyl)benzoyl]piperazine-1-carbaldehyde
CID 109044219
4-(4-fluorobenzoyl)piperazine-1-carbaldehyde
CID 2876745
4-(4-iodobenzoyl)piperazine-1-carbaldehyde
CID 875264
4-(6-phenylpyridine-3-carbonyl)piperazine-1-carbaldehyde
CID 110683635
(4-phenylphenyl)-piperazin-1-ylmethanone
CID 5345551
(4-phenylphenyl)-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone
CID 108533783
4-[4-(4-phenylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051557
prop-2-enyl 4-(4-phenylbenzoyl)piperazine-1-carboxylate
CID 108567747
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 86275791
4-(4-methylsulfonylbenzoyl)piperazine-1-carbaldehyde
CID 110764797
4-formyl-N-(4-phenylphenyl)piperazine-1-carboxamide
CID 23992135
[4-(4-hydroxyphenyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 8779428

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylbenzoyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(4-phenylbenzoyl)piperazine-1-carbaldehyde (CID 950270) is 4-(4-phenylbenzoyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(4-phenylbenzoyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(4-phenylbenzoyl)piperazine-1-carbaldehyde is O=CN1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of 4-(4-phenylbenzoyl)piperazine-1-carbaldehyde?
The InChIKey is KFNZJNJPGOFUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c21-14-19-10-12-20(13-11-19)18(22)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,14H,10-13H2.
What are the key properties of 4-(4-phenylbenzoyl)piperazine-1-carbaldehyde?
4-(4-phenylbenzoyl)piperazine-1-carbaldehyde has a molecular weight of 294.35 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylbenzoyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 950270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).