2-[2,6-di(propan-2-yl)anilino]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone

C23H31N3O3 — CID 109004698

IUPAC2-[2,6-di(propan-2-yl)anilino]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
SMILESCC(C)c1cccc(C(C)C)c1NCC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C23H31N3O3/c1-16(2)18-7-5-8-19(17(3)4)22(18)24-15-21(27)25-10-12-26(13-11-25)23(28)20-9-6-14-29-20/h5-9,14,16-17,24H,10-13,15H2,1-4H3
InChIKeySDYSWNZEOYSILB-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.92
Rot. Bonds6

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

2-[2,6-di(propan-2-yl)anilino]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 109004698) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-[2,6-di(propan-2-yl)anilino]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[2,6-di(propan-2-yl)anilino]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID109004698
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name2-[2,6-di(propan-2-yl)anilino]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
SMILESCC(C)c1cccc(C(C)C)c1NCC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C23H31N3O3/c1-16(2)18-7-5-8-19(17(3)4)22(18)24-15-21(27)25-10-12-26(13-11-25)23(28)20-9-6-14-29-20/h5-9,14,16-17,24H,10-13,15H2,1-4H3
InChIKeySDYSWNZEOYSILB-UHFFFAOYSA-N
XLogP3.92
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2,6-di(propan-2-yl)anilino]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-(2,6-diethylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004649
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-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004693
2-(3-chloroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004656
3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-propan-2-ylpropanamide
CID 108940840
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-morpholin-4-ylpropane-1,3-dione
CID 108943477
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
2-(4-chloro-2-methylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004660
2-(2-methyl-6-propan-2-ylanilino)-1-pyrrolidin-1-ylethanone
CID 108993428

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-di(propan-2-yl)anilino]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[2,6-di(propan-2-yl)anilino]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone (CID 109004698) is 2-[2,6-di(propan-2-yl)anilino]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[2,6-di(propan-2-yl)anilino]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[2,6-di(propan-2-yl)anilino]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone is CC(C)c1cccc(C(C)C)c1NCC(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 2-[2,6-di(propan-2-yl)anilino]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is SDYSWNZEOYSILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-16(2)18-7-5-8-19(17(3)4)22(18)24-15-21(27)25-10-12-26(13-11-25)23(28)20-9-6-14-29-20/h5-9,14,16-17,24H,10-13,15H2,1-4H3.
What are the key properties of 2-[2,6-di(propan-2-yl)anilino]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
2-[2,6-di(propan-2-yl)anilino]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 397.52 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-di(propan-2-yl)anilino]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 109004698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).