N-(4-methoxyphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide

C19H21N3O3 — CID 44892039

IUPACN-(4-methoxyphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCOc1ccc(NC(=O)C(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H21N3O3/c1-25-17-9-7-15(8-10-17)20-18(23)19(24)22-13-11-21(12-14-22)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,20,23)
InChIKeyVVTHZXYDOJRTPR-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.98
Rot. Bonds3

About N-(4-methoxyphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide

N-(4-methoxyphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide (PubChem CID 44892039) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
PubChem CID44892039
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-(4-methoxyphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCOc1ccc(NC(=O)C(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H21N3O3/c1-25-17-9-7-15(8-10-17)20-18(23)19(24)22-13-11-21(12-14-22)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,20,23)
InChIKeyVVTHZXYDOJRTPR-UHFFFAOYSA-N
XLogP1.98
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide (CID 44892039) is N-(4-methoxyphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide is COc1ccc(NC(=O)C(=O)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide?
The InChIKey is VVTHZXYDOJRTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-25-17-9-7-15(8-10-17)20-18(23)19(24)22-13-11-21(12-14-22)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,20,23).
What are the key properties of N-(4-methoxyphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide?
N-(4-methoxyphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide has a molecular weight of 339.40 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 44892039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).