4-(3-chlorophenyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]piperazine-1-carboxamide

C20H23ClF3N3O3 — CID 42954470

IUPAC4-(3-chlorophenyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]piperazine-1-carboxamide
SMILESCc1ccc(C(O)(CCNC(=O)N2CCN(c3cccc(Cl)c3)CC2)C(F)(F)F)o1
InChIInChI=1S/C20H23ClF3N3O3/c1-14-5-6-17(30-14)19(29,20(22,23)24)7-8-25-18(28)27-11-9-26(10-12-27)16-4-2-3-15(21)13-16/h2-6,13,29H,7-12H2,1H3,(H,25,28)
InChIKeyKFNKLNYNNHRYPY-UHFFFAOYSA-N
MW445.87 g/mol
LogP3.91
Rot. Bonds5

About 4-(3-chlorophenyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]piperazine-1-carboxamide

4-(3-chlorophenyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]piperazine-1-carboxamide (PubChem CID 42954470) has the molecular formula C20H23ClF3N3O3 and a molecular weight of 445.87 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]piperazine-1-carboxamide
PubChem CID42954470
Molecular FormulaC20H23ClF3N3O3
Molecular Weight445.87 g/mol
Exact Mass445.14
IUPAC Name4-(3-chlorophenyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]piperazine-1-carboxamide
SMILESCc1ccc(C(O)(CCNC(=O)N2CCN(c3cccc(Cl)c3)CC2)C(F)(F)F)o1
InChIInChI=1S/C20H23ClF3N3O3/c1-14-5-6-17(30-14)19(29,20(22,23)24)7-8-25-18(28)27-11-9-26(10-12-27)16-4-2-3-15(21)13-16/h2-6,13,29H,7-12H2,1H3,(H,25,28)
InChIKeyKFNKLNYNNHRYPY-UHFFFAOYSA-N
XLogP3.91
TPSA68.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.87
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(3-chlorophenyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]piperazine-1-carboxamide with MolForge

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Related Compounds

4-(2-fluorophenyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]piperazine-1-carboxamide
CID 42954471
N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]pyrrolidine-1-carboxamide
CID 94021046
4-(3-chlorophenyl)-N-propylpiperazine-1-carboxamide
CID 17444568
4-(3-chlorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 22107953
N-(3,3-dimethylbutyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 38332211
4-(3-chlorophenyl)-N-(methoxymethyl)piperazine-1-carboxamide
CID 110675953
4-(3-chlorophenyl)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]piperazine-1-carboxamide
CID 112818121
4-(3-chlorophenyl)-N-[2-(2,4-dimethylphenoxy)ethyl]piperazine-1-carboxamide
CID 112973655
4-(3-chlorophenyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperazine-1-carboxamide
CID 108875035
4-(3-chlorophenyl)-N-[2-(2-fluorophenoxy)ethyl]piperazine-1-carboxamide
CID 27535774
4-(3-chlorophenyl)-N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperazine-1-carboxamide
CID 113214019
N-[2-(dimethylamino)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide;hydrochloride
CID 22163785

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]piperazine-1-carboxamide (CID 42954470) is 4-(3-chlorophenyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]piperazine-1-carboxamide is Cc1ccc(C(O)(CCNC(=O)N2CCN(c3cccc(Cl)c3)CC2)C(F)(F)F)o1.
What is the InChIKey of 4-(3-chlorophenyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]piperazine-1-carboxamide?
The InChIKey is KFNKLNYNNHRYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClF3N3O3/c1-14-5-6-17(30-14)19(29,20(22,23)24)7-8-25-18(28)27-11-9-26(10-12-27)16-4-2-3-15(21)13-16/h2-6,13,29H,7-12H2,1H3,(H,25,28).
What are the key properties of 4-(3-chlorophenyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]piperazine-1-carboxamide?
4-(3-chlorophenyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]piperazine-1-carboxamide has a molecular weight of 445.87 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]piperazine-1-carboxamide is sourced from PubChem (CID 42954470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).