2-oxo-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)acetamide

C21H25N3O3 — CID 108985742

IUPAC2-oxo-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccc(NC(=O)C(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H25N3O3/c1-16(2)27-19-10-8-17(9-11-19)22-20(25)21(26)24-14-12-23(13-15-24)18-6-4-3-5-7-18/h3-11,16H,12-15H2,1-2H3,(H,22,25)
InChIKeyAAEPAQCQDWKBKL-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.76
Rot. Bonds4

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

2-oxo-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)acetamide (PubChem CID 108985742) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-oxo-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-oxo-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)acetamide
PubChem CID108985742
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name2-oxo-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccc(NC(=O)C(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H25N3O3/c1-16(2)27-19-10-8-17(9-11-19)22-20(25)21(26)24-14-12-23(13-15-24)18-6-4-3-5-7-18/h3-11,16H,12-15H2,1-2H3,(H,22,25)
InChIKeyAAEPAQCQDWKBKL-UHFFFAOYSA-N
XLogP2.76
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethylphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
CID 44999577
4-(4-acetamidophenyl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113113951
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 44901895
N-(4-ethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 44902445
2-oxo-2-(4-propan-2-yloxyanilino)acetic acid
CID 28710622
2-phenoxy-1-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]ethanone
CID 113077730
2-oxo-N-(4-phenoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 108511608
N-(2-hydroxyphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
CID 108514381
2-(4-formylpiperazin-1-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 108502665
N-(3-acetamidophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 44902805
N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 44892200
N-(3-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113113577

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)acetamide?
The IUPAC name of 2-oxo-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)acetamide (CID 108985742) is 2-oxo-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-oxo-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-oxo-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)acetamide is CC(C)Oc1ccc(NC(=O)C(=O)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 2-oxo-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)acetamide?
The InChIKey is AAEPAQCQDWKBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-16(2)27-19-10-8-17(9-11-19)22-20(25)21(26)24-14-12-23(13-15-24)18-6-4-3-5-7-18/h3-11,16H,12-15H2,1-2H3,(H,22,25).
What are the key properties of 2-oxo-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)acetamide?
2-oxo-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)acetamide has a molecular weight of 367.45 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 108985742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).