N-[(2-fluorophenyl)methyl]-2-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]acetamide

C21H22F4N2O3 — CID 99788086

IUPACN-[(2-fluorophenyl)methyl]-2-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1)NCc1ccccc1F
InChIInChI=1S/C21H22F4N2O3/c22-18-7-2-1-4-15(18)13-26-19(28)14-27-10-8-20(29,9-11-27)16-5-3-6-17(12-16)30-21(23,24)25/h1-7,12,29H,8-11,13-14H2,(H,26,28)
InChIKeyFHQSXVZRWITDBQ-UHFFFAOYSA-N
MW426.41 g/mol
LogP3.32
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-2-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]acetamide

N-[(2-fluorophenyl)methyl]-2-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]acetamide (PubChem CID 99788086) has the molecular formula C21H22F4N2O3 and a molecular weight of 426.41 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]acetamide
PubChem CID99788086
Molecular FormulaC21H22F4N2O3
Molecular Weight426.41 g/mol
Exact Mass426.16
IUPAC NameN-[(2-fluorophenyl)methyl]-2-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1)NCc1ccccc1F
InChIInChI=1S/C21H22F4N2O3/c22-18-7-2-1-4-15(18)13-26-19(28)14-27-10-8-20(29,9-11-27)16-5-3-6-17(12-16)30-21(23,24)25/h1-7,12,29H,8-11,13-14H2,(H,26,28)
InChIKeyFHQSXVZRWITDBQ-UHFFFAOYSA-N
XLogP3.32
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.41
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]acetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]acetamide (CID 99788086) is N-[(2-fluorophenyl)methyl]-2-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]acetamide is O=C(CN1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]acetamide?
The InChIKey is FHQSXVZRWITDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F4N2O3/c22-18-7-2-1-4-15(18)13-26-19(28)14-27-10-8-20(29,9-11-27)16-5-3-6-17(12-16)30-21(23,24)25/h1-7,12,29H,8-11,13-14H2,(H,26,28).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]acetamide?
N-[(2-fluorophenyl)methyl]-2-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]acetamide has a molecular weight of 426.41 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 99788086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).