N-[(2R)-1-oxo-1-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-2-yl]furan-2-carboxamide

C20H20F3N3O4 — CID 51954176

IUPACN-[(2R)-1-oxo-1-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-2-yl]furan-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H20F3N3O4/c1-13(24-17(27)16-6-3-11-30-16)18(28)25-7-9-26(10-8-25)19(29)14-4-2-5-15(12-14)20(21,22)23/h2-6,11-13H,7-10H2,1H3,(H,24,27)/t13-/m1/s1
InChIKeyAUMGMCGBYLHYAD-CYBMUJFWSA-N
MW423.39 g/mol
LogP2.40
Rot. Bonds4

About N-[(2R)-1-oxo-1-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-2-yl]furan-2-carboxamide

N-[(2R)-1-oxo-1-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-2-yl]furan-2-carboxamide (PubChem CID 51954176) has the molecular formula C20H20F3N3O4 and a molecular weight of 423.39 g/mol. Its IUPAC name is N-[(2R)-1-oxo-1-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-oxo-1-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-2-yl]furan-2-carboxamide
PubChem CID51954176
Molecular FormulaC20H20F3N3O4
Molecular Weight423.39 g/mol
Exact Mass423.14
IUPAC NameN-[(2R)-1-oxo-1-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-2-yl]furan-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H20F3N3O4/c1-13(24-17(27)16-6-3-11-30-16)18(28)25-7-9-26(10-8-25)19(29)14-4-2-5-15(12-14)20(21,22)23/h2-6,11-13H,7-10H2,1H3,(H,24,27)/t13-/m1/s1
InChIKeyAUMGMCGBYLHYAD-CYBMUJFWSA-N
XLogP2.40
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
CID 86926583
4-tert-butyl-N-[(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 38911698
N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzamide
CID 94667832
N-[1-oxo-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-2-yl]benzamide
CID 55586100
N-[1-oxo-1-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-2-yl]furan-2-carboxamide
CID 51150523
N-[(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]furan-2-carboxamide
CID 42561579
N-[(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
CID 2576347
N-[(2R)-1-oxo-1-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]propan-2-yl]furan-2-carboxamide
CID 30341754
[3-(trifluoromethyl)phenyl]methyl (2R)-2-(furan-2-carbonylamino)propanoate
CID 2427745
N-[(1S)-1-(benzenesulfonyl)-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 41201756
N-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
CID 42908363
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 2504418

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-oxo-1-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2R)-1-oxo-1-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-2-yl]furan-2-carboxamide (CID 51954176) is N-[(2R)-1-oxo-1-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-oxo-1-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2R)-1-oxo-1-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-2-yl]furan-2-carboxamide is C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-[(2R)-1-oxo-1-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-2-yl]furan-2-carboxamide?
The InChIKey is AUMGMCGBYLHYAD-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H20F3N3O4/c1-13(24-17(27)16-6-3-11-30-16)18(28)25-7-9-26(10-8-25)19(29)14-4-2-5-15(12-14)20(21,22)23/h2-6,11-13H,7-10H2,1H3,(H,24,27)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-oxo-1-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-2-yl]furan-2-carboxamide?
N-[(2R)-1-oxo-1-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-2-yl]furan-2-carboxamide has a molecular weight of 423.39 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-oxo-1-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 51954176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).