2-[4-(diethylamino)anilino]-1-(4-phenylpiperazin-1-yl)ethanone

C22H30N4O — CID 109002161

IUPAC2-[4-(diethylamino)anilino]-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCCN(CC)c1ccc(NCC(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H30N4O/c1-3-24(4-2)21-12-10-19(11-13-21)23-18-22(27)26-16-14-25(15-17-26)20-8-6-5-7-9-20/h5-13,23H,3-4,14-18H2,1-2H3
InChIKeyBQWDGRXJNVWZDI-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.29
Rot. Bonds7

About 2-[4-(diethylamino)anilino]-1-(4-phenylpiperazin-1-yl)ethanone

2-[4-(diethylamino)anilino]-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 109002161) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-[4-(diethylamino)anilino]-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(diethylamino)anilino]-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID109002161
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name2-[4-(diethylamino)anilino]-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCCN(CC)c1ccc(NCC(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H30N4O/c1-3-24(4-2)21-12-10-19(11-13-21)23-18-22(27)26-16-14-25(15-17-26)20-8-6-5-7-9-20/h5-13,23H,3-4,14-18H2,1-2H3
InChIKeyBQWDGRXJNVWZDI-UHFFFAOYSA-N
XLogP3.29
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(4-acetylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 2450811
2-[4-(diethylamino)anilino]-1-(4-methylpiperidin-1-yl)ethanone
CID 108993776
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
1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 113078845
2-(2,6-diethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002140
2-(2,6-dimethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002134
1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 113078847
1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]pentan-1-one
CID 113078817
2-[4-(diethylamino)anilino]acetic acid;dihydrochloride
CID 131880910
2-[4-(diethylamino)anilino]-N-phenylacetamide
CID 70365941
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-ethylanilino)ethanone
CID 109004339

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)anilino]-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[4-(diethylamino)anilino]-1-(4-phenylpiperazin-1-yl)ethanone (CID 109002161) is 2-[4-(diethylamino)anilino]-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(diethylamino)anilino]-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[4-(diethylamino)anilino]-1-(4-phenylpiperazin-1-yl)ethanone is CCN(CC)c1ccc(NCC(=O)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 2-[4-(diethylamino)anilino]-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is BQWDGRXJNVWZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-3-24(4-2)21-12-10-19(11-13-21)23-18-22(27)26-16-14-25(15-17-26)20-8-6-5-7-9-20/h5-13,23H,3-4,14-18H2,1-2H3.
What are the key properties of 2-[4-(diethylamino)anilino]-1-(4-phenylpiperazin-1-yl)ethanone?
2-[4-(diethylamino)anilino]-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 366.51 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)anilino]-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 109002161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).