4-(furan-2-carbonyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperazine-1-carboxamide

C20H22F3N3O4 — CID 41199927

IUPAC4-(furan-2-carbonyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperazine-1-carboxamide
SMILESO=C(NCc1ccc(COCC(F)(F)F)cc1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H22F3N3O4/c21-20(22,23)14-29-13-16-5-3-15(4-6-16)12-24-19(28)26-9-7-25(8-10-26)18(27)17-2-1-11-30-17/h1-6,11H,7-10,12-14H2,(H,24,28)
InChIKeyUSWBWXFFGDZJMB-UHFFFAOYSA-N
MW425.41 g/mol
LogP3.03
Rot. Bonds6

About 4-(furan-2-carbonyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperazine-1-carboxamide

4-(furan-2-carbonyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperazine-1-carboxamide (PubChem CID 41199927) has the molecular formula C20H22F3N3O4 and a molecular weight of 425.41 g/mol. Its IUPAC name is 4-(furan-2-carbonyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(furan-2-carbonyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperazine-1-carboxamide
PubChem CID41199927
Molecular FormulaC20H22F3N3O4
Molecular Weight425.41 g/mol
Exact Mass425.16
IUPAC Name4-(furan-2-carbonyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperazine-1-carboxamide
SMILESO=C(NCc1ccc(COCC(F)(F)F)cc1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H22F3N3O4/c21-20(22,23)14-29-13-16-5-3-15(4-6-16)12-24-19(28)26-9-7-25(8-10-26)18(27)17-2-1-11-30-17/h1-6,11H,7-10,12-14H2,(H,24,28)
InChIKeyUSWBWXFFGDZJMB-UHFFFAOYSA-N
XLogP3.03
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(furan-2-carbonyl)-N'-methyl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 111167314
4-(furan-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 110706346
tert-butyl 4-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylcarbamoyl]piperazine-1-carboxylate
CID 41200103
4-(3-chlorophenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperazine-1-carboxamide
CID 41199851
4-N-phenyl-1-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperidine-1,4-dicarboxamide
CID 41199883
1-benzyl-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]urea
CID 24664664
4-(furan-2-carbonyl)-N'-methyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 111166998
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 37375212
N-[(4-fluorophenyl)methyl]-3-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide
CID 24817713
N-ethyl-4-(furan-2-carbonyl)-N'-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carboximidamide
CID 111168811
furan-2-yl-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone
CID 119101589
4-[[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methylcarbamoylamino]methyl]benzoic acid
CID 122007469

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-carbonyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(furan-2-carbonyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperazine-1-carboxamide (CID 41199927) is 4-(furan-2-carbonyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(furan-2-carbonyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(furan-2-carbonyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperazine-1-carboxamide is O=C(NCc1ccc(COCC(F)(F)F)cc1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 4-(furan-2-carbonyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperazine-1-carboxamide?
The InChIKey is USWBWXFFGDZJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O4/c21-20(22,23)14-29-13-16-5-3-15(4-6-16)12-24-19(28)26-9-7-25(8-10-26)18(27)17-2-1-11-30-17/h1-6,11H,7-10,12-14H2,(H,24,28).
What are the key properties of 4-(furan-2-carbonyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperazine-1-carboxamide?
4-(furan-2-carbonyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperazine-1-carboxamide has a molecular weight of 425.41 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-carbonyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 41199927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).