4-(4-formylphenyl)-3-oxo-N-phenylpiperazine-1-carboxamide

C18H17N3O3 — CID 134788495

IUPAC4-(4-formylphenyl)-3-oxo-N-phenylpiperazine-1-carboxamide
SMILESO=Cc1ccc(N2CCN(C(=O)Nc3ccccc3)CC2=O)cc1
InChIInChI=1S/C18H17N3O3/c22-13-14-6-8-16(9-7-14)21-11-10-20(12-17(21)23)18(24)19-15-4-2-1-3-5-15/h1-9,13H,10-12H2,(H,19,24)
InChIKeyKAZLQZBGIFLSSR-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.38
Rot. Bonds3

About 4-(4-formylphenyl)-3-oxo-N-phenylpiperazine-1-carboxamide

4-(4-formylphenyl)-3-oxo-N-phenylpiperazine-1-carboxamide (PubChem CID 134788495) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 4-(4-formylphenyl)-3-oxo-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-formylphenyl)-3-oxo-N-phenylpiperazine-1-carboxamide
PubChem CID134788495
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name4-(4-formylphenyl)-3-oxo-N-phenylpiperazine-1-carboxamide
SMILESO=Cc1ccc(N2CCN(C(=O)Nc3ccccc3)CC2=O)cc1
InChIInChI=1S/C18H17N3O3/c22-13-14-6-8-16(9-7-14)21-11-10-20(12-17(21)23)18(24)19-15-4-2-1-3-5-15/h1-9,13H,10-12H2,(H,19,24)
InChIKeyKAZLQZBGIFLSSR-UHFFFAOYSA-N
XLogP2.38
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-formylphenyl)-3-oxo-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-(4-formylphenyl)-3-oxo-N-phenylpiperazine-1-carboxamide (CID 134788495) is 4-(4-formylphenyl)-3-oxo-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(4-formylphenyl)-3-oxo-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-(4-formylphenyl)-3-oxo-N-phenylpiperazine-1-carboxamide is O=Cc1ccc(N2CCN(C(=O)Nc3ccccc3)CC2=O)cc1.
What is the InChIKey of 4-(4-formylphenyl)-3-oxo-N-phenylpiperazine-1-carboxamide?
The InChIKey is KAZLQZBGIFLSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c22-13-14-6-8-16(9-7-14)21-11-10-20(12-17(21)23)18(24)19-15-4-2-1-3-5-15/h1-9,13H,10-12H2,(H,19,24).
What are the key properties of 4-(4-formylphenyl)-3-oxo-N-phenylpiperazine-1-carboxamide?
4-(4-formylphenyl)-3-oxo-N-phenylpiperazine-1-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-formylphenyl)-3-oxo-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 134788495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).