2-(4-acetylanilino)-1-(4-phenylpiperazin-1-yl)ethanone

C20H23N3O2 — CID 2450811

IUPAC2-(4-acetylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCC(=O)c1ccc(NCC(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H23N3O2/c1-16(24)17-7-9-18(10-8-17)21-15-20(25)23-13-11-22(12-14-23)19-5-3-2-4-6-19/h2-10,21H,11-15H2,1H3
InChIKeyVZYXBVVJRMQQME-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.65
Rot. Bonds5

About 2-(4-acetylanilino)-1-(4-phenylpiperazin-1-yl)ethanone

2-(4-acetylanilino)-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 2450811) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-(4-acetylanilino)-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-acetylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID2450811
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-(4-acetylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCC(=O)c1ccc(NCC(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H23N3O2/c1-16(24)17-7-9-18(10-8-17)21-15-20(25)23-13-11-22(12-14-23)19-5-3-2-4-6-19/h2-10,21H,11-15H2,1H3
InChIKeyVZYXBVVJRMQQME-UHFFFAOYSA-N
XLogP2.65
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate
CID 17407026
ethyl 4-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate
CID 17469283
2-(4-acetylanilino)-1-(4-benzylpiperazin-1-yl)ethanone
CID 109002057
2-[4-(diethylamino)anilino]-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002161
2-(4-acetylanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 71116229
1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-anilinoethanone;dihydrochloride
CID 119836972
2-(2,6-dimethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002134
3-(4-acetylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109027275
2-(2,6-diethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002140
2-(4-acetylanilino)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethanone
CID 90276084
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenoxyethanone
CID 8866833
N-(3-acetylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide
CID 108949450

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylanilino)-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-acetylanilino)-1-(4-phenylpiperazin-1-yl)ethanone (CID 2450811) is 2-(4-acetylanilino)-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-acetylanilino)-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-acetylanilino)-1-(4-phenylpiperazin-1-yl)ethanone is CC(=O)c1ccc(NCC(=O)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 2-(4-acetylanilino)-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is VZYXBVVJRMQQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-16(24)17-7-9-18(10-8-17)21-15-20(25)23-13-11-22(12-14-23)19-5-3-2-4-6-19/h2-10,21H,11-15H2,1H3.
What are the key properties of 2-(4-acetylanilino)-1-(4-phenylpiperazin-1-yl)ethanone?
2-(4-acetylanilino)-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 337.42 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylanilino)-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 2450811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).