2-[(3R)-3-[(4-fluorophenoxy)methyl]-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide

C22H22F4N2O3 — CID 124960218

IUPAC2-[(3R)-3-[(4-fluorophenoxy)methyl]-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide
SMILESNC(=O)C[C@]1(COc2ccc(F)cc2)CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C22H22F4N2O3/c23-17-5-7-18(8-6-17)31-14-21(12-19(27)29)9-2-10-28(13-21)20(30)15-3-1-4-16(11-15)22(24,25)26/h1,3-8,11H,2,9-10,12-14H2,(H2,27,29)/t21-/m1/s1
InChIKeyGSZDUGDQNGTPJU-OAQYLSRUSA-N
MW438.42 g/mol
LogP4.02
Rot. Bonds6

About 2-[(3R)-3-[(4-fluorophenoxy)methyl]-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide

2-[(3R)-3-[(4-fluorophenoxy)methyl]-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide (PubChem CID 124960218) has the molecular formula C22H22F4N2O3 and a molecular weight of 438.42 g/mol. Its IUPAC name is 2-[(3R)-3-[(4-fluorophenoxy)methyl]-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[(3R)-3-[(4-fluorophenoxy)methyl]-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide
PubChem CID124960218
Molecular FormulaC22H22F4N2O3
Molecular Weight438.42 g/mol
Exact Mass438.16
IUPAC Name2-[(3R)-3-[(4-fluorophenoxy)methyl]-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide
SMILESNC(=O)C[C@]1(COc2ccc(F)cc2)CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C22H22F4N2O3/c23-17-5-7-18(8-6-17)31-14-21(12-19(27)29)9-2-10-28(13-21)20(30)15-3-1-4-16(11-15)22(24,25)26/h1,3-8,11H,2,9-10,12-14H2,(H2,27,29)/t21-/m1/s1
InChIKeyGSZDUGDQNGTPJU-OAQYLSRUSA-N
XLogP4.02
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-1-(3-chloro-4-fluorobenzoyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide
CID 124944696
2-[1-(4-ethylbenzoyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide
CID 110080380
2-[(3S)-1-[2-(3-fluorophenoxy)acetyl]-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide
CID 125017342
2-[(3S)-3-[(4-chloro-3-methylphenoxy)methyl]-1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide
CID 124947959
2-[1-(4-chlorobenzoyl)-3-[(4-chlorophenoxy)methyl]piperidin-3-yl]acetamide
CID 110080510
2-[(3R)-1-(3-chlorobenzoyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 124980872
2-[3-[(4-fluorophenoxy)methyl]-1-[3-(4-fluorophenyl)propanoyl]piperidin-3-yl]acetamide
CID 110080337
2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide
CID 125011059
2-[(3R)-1-(4-methylbenzoyl)-3-(phenoxymethyl)piperidin-3-yl]acetamide
CID 125024237
2-[1-(1,2-dimethylindole-3-carbonyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide
CID 110080364
2-[(3R)-1-(5-chloro-1-benzofuran-2-carbonyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide
CID 124943289
2-[(3R)-3-[(4-fluorophenoxy)methyl]-1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]acetamide
CID 124955846

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[(4-fluorophenoxy)methyl]-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide?
The IUPAC name of 2-[(3R)-3-[(4-fluorophenoxy)methyl]-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide (CID 124960218) is 2-[(3R)-3-[(4-fluorophenoxy)methyl]-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide.
What is the SMILES notation for 2-[(3R)-3-[(4-fluorophenoxy)methyl]-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide?
The canonical SMILES for 2-[(3R)-3-[(4-fluorophenoxy)methyl]-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide is NC(=O)C[C@]1(COc2ccc(F)cc2)CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 2-[(3R)-3-[(4-fluorophenoxy)methyl]-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide?
The InChIKey is GSZDUGDQNGTPJU-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H22F4N2O3/c23-17-5-7-18(8-6-17)31-14-21(12-19(27)29)9-2-10-28(13-21)20(30)15-3-1-4-16(11-15)22(24,25)26/h1,3-8,11H,2,9-10,12-14H2,(H2,27,29)/t21-/m1/s1.
What are the key properties of 2-[(3R)-3-[(4-fluorophenoxy)methyl]-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide?
2-[(3R)-3-[(4-fluorophenoxy)methyl]-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide has a molecular weight of 438.42 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[(4-fluorophenoxy)methyl]-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 124960218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).