2-(2,6-diethylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone

C21H27N3O3 — CID 109004649

IUPAC2-(2,6-diethylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
SMILESCCc1cccc(CC)c1NCC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C21H27N3O3/c1-3-16-7-5-8-17(4-2)20(16)22-15-19(25)23-10-12-24(13-11-23)21(26)18-9-6-14-27-18/h5-9,14,22H,3-4,10-13,15H2,1-2H3
InChIKeyVZLLQHORVDQNEF-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.80
Rot. Bonds6

About 2-(2,6-diethylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone

2-(2,6-diethylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 109004649) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-(2,6-diethylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,6-diethylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID109004649
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name2-(2,6-diethylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
SMILESCCc1cccc(CC)c1NCC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C21H27N3O3/c1-3-16-7-5-8-17(4-2)20(16)22-15-19(25)23-10-12-24(13-11-23)21(26)18-9-6-14-27-18/h5-9,14,22H,3-4,10-13,15H2,1-2H3
InChIKeyVZLLQHORVDQNEF-UHFFFAOYSA-N
XLogP2.80
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2,6-di(propan-2-yl)anilino]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004698
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 112994595
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 6461144
2-(4-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004654
2-(3-chloroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004656
2-(3-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004693
2-(2,6-diethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002140
N-(2-ethyl-6-methylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 8932507
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-morpholin-4-ylpropane-1,3-dione
CID 108943477
N-(2,6-diethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 8932704
N-butan-2-yl-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropanamide
CID 108941800
2-(3,4-dichloroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004702

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diethylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2,6-diethylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone (CID 109004649) is 2-(2,6-diethylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2,6-diethylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2,6-diethylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone is CCc1cccc(CC)c1NCC(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 2-(2,6-diethylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is VZLLQHORVDQNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-3-16-7-5-8-17(4-2)20(16)22-15-19(25)23-10-12-24(13-11-23)21(26)18-9-6-14-27-18/h5-9,14,22H,3-4,10-13,15H2,1-2H3.
What are the key properties of 2-(2,6-diethylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
2-(2,6-diethylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 369.47 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diethylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 109004649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).