4-(4-aminobenzoyl)piperazin-2-one;hydrochloride

C11H14ClN3O2 — CID 119681651

IUPAC4-(4-aminobenzoyl)piperazin-2-one;hydrochloride
SMILESCl.Nc1ccc(C(=O)N2CCNC(=O)C2)cc1
InChIInChI=1S/C11H13N3O2.ClH/c12-9-3-1-8(2-4-9)11(16)14-6-5-13-10(15)7-14;/h1-4H,5-7,12H2,(H,13,15);1H
InChIKeyPATKLMSRCRRTHZ-UHFFFAOYSA-N
MW255.71 g/mol
LogP0.26
Rot. Bonds1

About 4-(4-aminobenzoyl)piperazin-2-one;hydrochloride

4-(4-aminobenzoyl)piperazin-2-one;hydrochloride (PubChem CID 119681651) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.71 g/mol. Its IUPAC name is 4-(4-aminobenzoyl)piperazin-2-one;hydrochloride.

Molecular Properties

Compound Name4-(4-aminobenzoyl)piperazin-2-one;hydrochloride
PubChem CID119681651
Molecular FormulaC11H14ClN3O2
Molecular Weight255.71 g/mol
Exact Mass255.08
IUPAC Name4-(4-aminobenzoyl)piperazin-2-one;hydrochloride
SMILESCl.Nc1ccc(C(=O)N2CCNC(=O)C2)cc1
InChIInChI=1S/C11H13N3O2.ClH/c12-9-3-1-8(2-4-9)11(16)14-6-5-13-10(15)7-14;/h1-4H,5-7,12H2,(H,13,15);1H
InChIKeyPATKLMSRCRRTHZ-UHFFFAOYSA-N
XLogP0.26
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminobenzoyl)piperazin-2-one;hydrochloride?
The IUPAC name of 4-(4-aminobenzoyl)piperazin-2-one;hydrochloride (CID 119681651) is 4-(4-aminobenzoyl)piperazin-2-one;hydrochloride.
What is the SMILES notation for 4-(4-aminobenzoyl)piperazin-2-one;hydrochloride?
The canonical SMILES for 4-(4-aminobenzoyl)piperazin-2-one;hydrochloride is Cl.Nc1ccc(C(=O)N2CCNC(=O)C2)cc1.
What is the InChIKey of 4-(4-aminobenzoyl)piperazin-2-one;hydrochloride?
The InChIKey is PATKLMSRCRRTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2.ClH/c12-9-3-1-8(2-4-9)11(16)14-6-5-13-10(15)7-14;/h1-4H,5-7,12H2,(H,13,15);1H.
What are the key properties of 4-(4-aminobenzoyl)piperazin-2-one;hydrochloride?
4-(4-aminobenzoyl)piperazin-2-one;hydrochloride has a molecular weight of 255.71 g/mol, XLogP of 0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminobenzoyl)piperazin-2-one;hydrochloride is sourced from PubChem (CID 119681651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).