N-[2-[4-(furan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide

C21H20F3N3O3 — CID 129032652

IUPACN-[2-[4-(furan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2ccoc2)CC1)c1ccco1
InChIInChI=1S/C21H20F3N3O3/c22-21(23,24)16-3-4-18(17(12-16)25-20(28)19-2-1-10-30-19)27-8-6-26(7-9-27)13-15-5-11-29-14-15/h1-5,10-12,14H,6-9,13H2,(H,25,28)
InChIKeyXIZOXIDAGVIENF-UHFFFAOYSA-N
MW419.40 g/mol
LogP4.47
Rot. Bonds5

About N-[2-[4-(furan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide

N-[2-[4-(furan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 129032652) has the molecular formula C21H20F3N3O3 and a molecular weight of 419.40 g/mol. Its IUPAC name is N-[2-[4-(furan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(furan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID129032652
Molecular FormulaC21H20F3N3O3
Molecular Weight419.40 g/mol
Exact Mass419.15
IUPAC NameN-[2-[4-(furan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2ccoc2)CC1)c1ccco1
InChIInChI=1S/C21H20F3N3O3/c22-21(23,24)16-3-4-18(17(12-16)25-20(28)19-2-1-10-30-19)27-8-6-26(7-9-27)13-15-5-11-29-14-15/h1-5,10-12,14H,6-9,13H2,(H,25,28)
InChIKeyXIZOXIDAGVIENF-UHFFFAOYSA-N
XLogP4.47
TPSA61.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.40
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(furan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-methylfuran-2-carboxamide
CID 129032643
N-[2-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 129032656
N-[4-oxo-4-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]butyl]furan-2-carboxamide
CID 46820133
1-(furan-3-ylmethyl)-3-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]urea
CID 47039016
N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide
CID 129032619
2-(furan-2-carbonylamino)-4-(trifluoromethyl)benzoic acid
CID 79530106
N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyrimidine-2-carboxamide
CID 129032655
N-(5-fluoro-2-morpholin-4-ylphenyl)furan-2-carboxamide
CID 113092678
N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 129032603
N-[2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]furan-2-carboxamide
CID 24546026
(2S)-2-(4-benzylpiperazin-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 30729136
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 2446516

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(furan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-[4-(furan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 129032652) is N-[2-[4-(furan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[4-(furan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[4-(furan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2ccoc2)CC1)c1ccco1.
What is the InChIKey of N-[2-[4-(furan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is XIZOXIDAGVIENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O3/c22-21(23,24)16-3-4-18(17(12-16)25-20(28)19-2-1-10-30-19)27-8-6-26(7-9-27)13-15-5-11-29-14-15/h1-5,10-12,14H,6-9,13H2,(H,25,28).
What are the key properties of N-[2-[4-(furan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-[2-[4-(furan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 419.40 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(furan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 129032652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).