2-(2,6-diethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone

C22H29N3O — CID 109002140

IUPAC2-(2,6-diethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCCc1cccc(CC)c1NCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H29N3O/c1-3-18-9-8-10-19(4-2)22(18)23-17-21(26)25-15-13-24(14-16-25)20-11-6-5-7-12-20/h5-12,23H,3-4,13-17H2,1-2H3
InChIKeyHRCMBRBZZGSPBK-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.57
Rot. Bonds6

About 2-(2,6-diethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone

2-(2,6-diethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 109002140) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 2-(2,6-diethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,6-diethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID109002140
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name2-(2,6-diethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCCc1cccc(CC)c1NCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H29N3O/c1-3-18-9-8-10-19(4-2)22(18)23-17-21(26)25-15-13-24(14-16-25)20-11-6-5-7-12-20/h5-12,23H,3-4,13-17H2,1-2H3
InChIKeyHRCMBRBZZGSPBK-UHFFFAOYSA-N
XLogP3.57
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dimethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002134
2-(2-ethyl-6-methylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 56503227
2-(4-acetylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 2450811
2-[4-(diethylamino)anilino]-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002161
2-(2,6-diethylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004649
2-(3-chloro-2-methylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 17395805
ethyl 4-[2-(2-ethyl-6-methylanilino)acetyl]piperazine-1-carboxylate
CID 109003865
2-(2,3-dichloroanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002179
methyl 4-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate
CID 17407026
1-(4-acetylpiperazin-1-yl)-2-(2-ethylanilino)ethanone
CID 108996156
ethyl 4-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate
CID 17469283
1,1-dimethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]urea
CID 110371190

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2,6-diethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone (CID 109002140) is 2-(2,6-diethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2,6-diethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2,6-diethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone is CCc1cccc(CC)c1NCC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(2,6-diethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is HRCMBRBZZGSPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-3-18-9-8-10-19(4-2)22(18)23-17-21(26)25-15-13-24(14-16-25)20-11-6-5-7-12-20/h5-12,23H,3-4,13-17H2,1-2H3.
What are the key properties of 2-(2,6-diethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone?
2-(2,6-diethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 351.49 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 109002140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).