1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one

C21H24F3N3O3 — CID 55543544

IUPAC1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one
SMILESCC(C(=O)N1CCN(C(=O)c2ccco2)CC1)N(C)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C21H24F3N3O3/c1-15(25(2)14-16-6-3-4-7-17(16)21(22,23)24)19(28)26-9-11-27(12-10-26)20(29)18-8-5-13-30-18/h3-8,13,15H,9-12,14H2,1-2H3
InChIKeyNAESTNUPQPYNRY-UHFFFAOYSA-N
MW423.44 g/mol
LogP3.10
Rot. Bonds5

About 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one

1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one (PubChem CID 55543544) has the molecular formula C21H24F3N3O3 and a molecular weight of 423.44 g/mol. Its IUPAC name is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one.

Molecular Properties

Compound Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one
PubChem CID55543544
Molecular FormulaC21H24F3N3O3
Molecular Weight423.44 g/mol
Exact Mass423.18
IUPAC Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one
SMILESCC(C(=O)N1CCN(C(=O)c2ccco2)CC1)N(C)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C21H24F3N3O3/c1-15(25(2)14-16-6-3-4-7-17(16)21(22,23)24)19(28)26-9-11-27(12-10-26)20(29)18-8-5-13-30-18/h3-8,13,15H,9-12,14H2,1-2H3
InChIKeyNAESTNUPQPYNRY-UHFFFAOYSA-N
XLogP3.10
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one with MolForge

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Related Compounds

2-[(3,4-difluorophenyl)methyl-methylamino]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 55557519
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110796817
furan-2-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 21026314
2-[[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9286389
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
N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 78821261
5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-2-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrole-3-carboxamide
CID 134085455
1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-3-phenylpentan-1-one
CID 110316558
(2R)-N-(2-fluorophenyl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propanamide
CID 51932634
3-amino-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methyl-3-phenylpropan-1-one;hydrochloride
CID 119673047
(2S)-N-[(2-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 37377039

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one?
The IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one (CID 55543544) is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one.
What is the SMILES notation for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one?
The canonical SMILES for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one is CC(C(=O)N1CCN(C(=O)c2ccco2)CC1)N(C)Cc1ccccc1C(F)(F)F.
What is the InChIKey of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one?
The InChIKey is NAESTNUPQPYNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O3/c1-15(25(2)14-16-6-3-4-7-17(16)21(22,23)24)19(28)26-9-11-27(12-10-26)20(29)18-8-5-13-30-18/h3-8,13,15H,9-12,14H2,1-2H3.
What are the key properties of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one?
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one has a molecular weight of 423.44 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one is sourced from PubChem (CID 55543544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).