2-[(3,4-difluorophenyl)methyl-methylamino]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one

C20H23F2N3O3 — CID 55557519

IUPAC2-[(3,4-difluorophenyl)methyl-methylamino]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCN(C(=O)c2ccco2)CC1)N(C)Cc1ccc(F)c(F)c1
InChIInChI=1S/C20H23F2N3O3/c1-14(23(2)13-15-5-6-16(21)17(22)12-15)19(26)24-7-9-25(10-8-24)20(27)18-4-3-11-28-18/h3-6,11-12,14H,7-10,13H2,1-2H3
InChIKeyIZCIBYRRZUXFQO-UHFFFAOYSA-N
MW391.42 g/mol
LogP2.36
Rot. Bonds5

About 2-[(3,4-difluorophenyl)methyl-methylamino]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one

2-[(3,4-difluorophenyl)methyl-methylamino]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one (PubChem CID 55557519) has the molecular formula C20H23F2N3O3 and a molecular weight of 391.42 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)methyl-methylamino]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)methyl-methylamino]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
PubChem CID55557519
Molecular FormulaC20H23F2N3O3
Molecular Weight391.42 g/mol
Exact Mass391.17
IUPAC Name2-[(3,4-difluorophenyl)methyl-methylamino]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCN(C(=O)c2ccco2)CC1)N(C)Cc1ccc(F)c(F)c1
InChIInChI=1S/C20H23F2N3O3/c1-14(23(2)13-15-5-6-16(21)17(22)12-15)19(26)24-7-9-25(10-8-24)20(27)18-4-3-11-28-18/h3-6,11-12,14H,7-10,13H2,1-2H3
InChIKeyIZCIBYRRZUXFQO-UHFFFAOYSA-N
XLogP2.36
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(3,4-difluorophenyl)methyl-methylamino]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one
CID 55543544
[4-[2-(3,4-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 110897183
furan-2-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 21026314
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110796817
2-butylsulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 78761813
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119673057
3-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one
CID 110355835
2-(2,4-dichlorophenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 3158299
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 78789973
furan-2-yl-(4-pentan-2-ylpiperazin-1-yl)methanone
CID 156542085
1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-3-phenylpentan-1-one
CID 110316558
1-(4-ethylpiperazin-1-yl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propan-1-one
CID 78786374

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)methyl-methylamino]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-[(3,4-difluorophenyl)methyl-methylamino]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one (CID 55557519) is 2-[(3,4-difluorophenyl)methyl-methylamino]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-[(3,4-difluorophenyl)methyl-methylamino]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-[(3,4-difluorophenyl)methyl-methylamino]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one is CC(C(=O)N1CCN(C(=O)c2ccco2)CC1)N(C)Cc1ccc(F)c(F)c1.
What is the InChIKey of 2-[(3,4-difluorophenyl)methyl-methylamino]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one?
The InChIKey is IZCIBYRRZUXFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O3/c1-14(23(2)13-15-5-6-16(21)17(22)12-15)19(26)24-7-9-25(10-8-24)20(27)18-4-3-11-28-18/h3-6,11-12,14H,7-10,13H2,1-2H3.
What are the key properties of 2-[(3,4-difluorophenyl)methyl-methylamino]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one?
2-[(3,4-difluorophenyl)methyl-methylamino]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one has a molecular weight of 391.42 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenyl)methyl-methylamino]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 55557519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).