2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)acetamide

C25H25N3O3 — CID 9223614

IUPAC2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)acetamide
SMILESO=C(CN1CCN(C(=O)c2ccccc2)CC1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C25H25N3O3/c29-24(26-21-11-13-23(14-12-21)31-22-9-5-2-6-10-22)19-27-15-17-28(18-16-27)25(30)20-7-3-1-4-8-20/h1-14H,15-19H2,(H,26,29)
InChIKeyJLDHRKHQPCEYSE-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.88
Rot. Bonds6

About 2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)acetamide

2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)acetamide (PubChem CID 9223614) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)acetamide
PubChem CID9223614
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)acetamide
SMILESO=C(CN1CCN(C(=O)c2ccccc2)CC1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C25H25N3O3/c29-24(26-21-11-13-23(14-12-21)31-22-9-5-2-6-10-22)19-27-15-17-28(18-16-27)25(30)20-7-3-1-4-8-20/h1-14H,15-19H2,(H,26,29)
InChIKeyJLDHRKHQPCEYSE-UHFFFAOYSA-N
XLogP3.88
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzoylpiperazin-1-yl)-N-(4-ethylphenyl)acetamide
CID 9223540
2-(azepan-1-yl)-N-(4-phenoxyphenyl)acetamide chloride
CID 53350713
2-(4-benzoylpiperazin-1-yl)-N-(4-cyanophenyl)acetamide
CID 9223598
N-[4-(azepan-1-yl)phenyl]-2-(4-benzoylpiperazin-1-yl)acetamide
CID 9327985
N-(4-fluorophenyl)-2-[4-(2-phenoxybenzoyl)piperazin-1-yl]acetamide
CID 27849921
2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 34432781
2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenoxy]phenyl]acetamide
CID 647483
N-(2-methoxyethyl)-2-[4-(4-phenoxybenzoyl)piperazin-1-yl]acetamide
CID 8541477
2-[4-(1-oxidopyridin-1-ium-4-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 31149940
2-[4-(4-phenoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 8893050
2-(4-benzoylpiperazin-1-yl)-N-(3,4-diethoxyphenyl)acetamide
CID 9223268
N-phenyl-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]acetamide
CID 31150749

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)acetamide (CID 9223614) is 2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)acetamide is O=C(CN1CCN(C(=O)c2ccccc2)CC1)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)acetamide?
The InChIKey is JLDHRKHQPCEYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c29-24(26-21-11-13-23(14-12-21)31-22-9-5-2-6-10-22)19-27-15-17-28(18-16-27)25(30)20-7-3-1-4-8-20/h1-14H,15-19H2,(H,26,29).
What are the key properties of 2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)acetamide?
2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)acetamide has a molecular weight of 415.49 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 9223614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).