2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-phenylacetamide

C21H25N3O2 — CID 51297445

IUPAC2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-phenylacetamide
SMILESCCc1ccc(C(=O)N2CCN(C(C(N)=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C21H25N3O2/c1-2-16-8-10-18(11-9-16)21(26)24-14-12-23(13-15-24)19(20(22)25)17-6-4-3-5-7-17/h3-11,19H,2,12-15H2,1H3,(H2,22,25)
InChIKeyZFAWQRNTXAWMBV-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.23
Rot. Bonds5

About 2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-phenylacetamide

2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-phenylacetamide (PubChem CID 51297445) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound Name2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-phenylacetamide
PubChem CID51297445
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-phenylacetamide
SMILESCCc1ccc(C(=O)N2CCN(C(C(N)=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C21H25N3O2/c1-2-16-8-10-18(11-9-16)21(26)24-14-12-23(13-15-24)19(20(22)25)17-6-4-3-5-7-17/h3-11,19H,2,12-15H2,1H3,(H2,22,25)
InChIKeyZFAWQRNTXAWMBV-UHFFFAOYSA-N
XLogP2.23
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzoylpiperazin-1-yl)-2-(4-fluorophenyl)acetamide
CID 69403152
(2R)-2-(4-acetylpiperazin-1-yl)-2-phenylacetamide
CID 51908871
2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-phenylacetamide
CID 51307935
(2R)-2-[4-(furan-3-carbonyl)piperazin-1-yl]-2-phenylacetamide
CID 34955258
2-amino-1-[4-(4-ethylbenzoyl)piperazin-1-yl]ethanone
CID 119292854
2-(4-ethylpiperazin-1-yl)-2-phenylacetamide
CID 86915510
phenyl-[4-[4-(phenylsulfanylmethyl)benzoyl]piperazin-1-yl]methanone
CID 112792143
(2S)-2-(4-benzoyl-1,4-diazepan-1-yl)-2-(4-fluorophenyl)acetamide
CID 30807703
2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-phenylacetamide
CID 46568132
(4-benzhydrylpiperazin-1-yl)-[4-[(4-methylphenyl)sulfanylmethyl]phenyl]methanone
CID 4666883
2-[4-(4-ethylbenzoyl)piperazin-1-yl]propanenitrile
CID 63337287
(4-methylpiperazin-1-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone
CID 3692173

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-phenylacetamide?
The IUPAC name of 2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-phenylacetamide (CID 51297445) is 2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-phenylacetamide.
What is the SMILES notation for 2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-phenylacetamide?
The canonical SMILES for 2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-phenylacetamide is CCc1ccc(C(=O)N2CCN(C(C(N)=O)c3ccccc3)CC2)cc1.
What is the InChIKey of 2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-phenylacetamide?
The InChIKey is ZFAWQRNTXAWMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-2-16-8-10-18(11-9-16)21(26)24-14-12-23(13-15-24)19(20(22)25)17-6-4-3-5-7-17/h3-11,19H,2,12-15H2,1H3,(H2,22,25).
What are the key properties of 2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-phenylacetamide?
2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-phenylacetamide has a molecular weight of 351.45 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 51297445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).