2-[3-[(4-fluorophenoxy)methyl]-1-[3-(4-fluorophenyl)propanoyl]piperidin-3-yl]acetamide

C23H26F2N2O3 — CID 110080337

IUPAC2-[3-[(4-fluorophenoxy)methyl]-1-[3-(4-fluorophenyl)propanoyl]piperidin-3-yl]acetamide
SMILESNC(=O)CC1(COc2ccc(F)cc2)CCCN(C(=O)CCc2ccc(F)cc2)C1
InChIInChI=1S/C23H26F2N2O3/c24-18-5-2-17(3-6-18)4-11-22(29)27-13-1-12-23(15-27,14-21(26)28)16-30-20-9-7-19(25)8-10-20/h2-3,5-10H,1,4,11-16H2,(H2,26,28)
InChIKeyLHWASINIHBVVAF-UHFFFAOYSA-N
MW416.47 g/mol
LogP3.46
Rot. Bonds8

About 2-[3-[(4-fluorophenoxy)methyl]-1-[3-(4-fluorophenyl)propanoyl]piperidin-3-yl]acetamide

2-[3-[(4-fluorophenoxy)methyl]-1-[3-(4-fluorophenyl)propanoyl]piperidin-3-yl]acetamide (PubChem CID 110080337) has the molecular formula C23H26F2N2O3 and a molecular weight of 416.47 g/mol. Its IUPAC name is 2-[3-[(4-fluorophenoxy)methyl]-1-[3-(4-fluorophenyl)propanoyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[3-[(4-fluorophenoxy)methyl]-1-[3-(4-fluorophenyl)propanoyl]piperidin-3-yl]acetamide
PubChem CID110080337
Molecular FormulaC23H26F2N2O3
Molecular Weight416.47 g/mol
Exact Mass416.19
IUPAC Name2-[3-[(4-fluorophenoxy)methyl]-1-[3-(4-fluorophenyl)propanoyl]piperidin-3-yl]acetamide
SMILESNC(=O)CC1(COc2ccc(F)cc2)CCCN(C(=O)CCc2ccc(F)cc2)C1
InChIInChI=1S/C23H26F2N2O3/c24-18-5-2-17(3-6-18)4-11-22(29)27-13-1-12-23(15-27,14-21(26)28)16-30-20-9-7-19(25)8-10-20/h2-3,5-10H,1,4,11-16H2,(H2,26,28)
InChIKeyLHWASINIHBVVAF-UHFFFAOYSA-N
XLogP3.46
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-ethylbenzoyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide
CID 110080380
2-[(3R)-3-[(4-fluorophenoxy)methyl]-1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]acetamide
CID 124955846
2-[(3S)-1-[2-(3-fluorophenoxy)acetyl]-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide
CID 125017342
2-[(3S)-1-[2-(2-ethylimidazol-1-yl)acetyl]-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide
CID 124945608
2-[(3R)-3-[(3-chlorophenoxy)methyl]-1-[3-(2-fluorophenyl)propanoyl]piperidin-3-yl]acetamide
CID 125010812
2-[(3R)-1-(3-chloro-4-fluorobenzoyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide
CID 124944696
1-[(3S)-3-[(4-fluorophenoxy)methyl]-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]pentan-1-one
CID 125017275
2-[(3R)-3-[(4-fluorophenoxy)methyl]-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide
CID 124960218
2-[(3R)-1-(5-chloro-1-benzofuran-2-carbonyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide
CID 124943289
2-[1-[2-(4-chlorophenoxy)acetyl]-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]-1-piperidin-1-ylethanone
CID 110080220
2-[3-[(3-chlorophenoxy)methyl]-1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidin-3-yl]acetamide
CID 110079431
2-[1-(1,2-dimethylindole-3-carbonyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide
CID 110080364

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-fluorophenoxy)methyl]-1-[3-(4-fluorophenyl)propanoyl]piperidin-3-yl]acetamide?
The IUPAC name of 2-[3-[(4-fluorophenoxy)methyl]-1-[3-(4-fluorophenyl)propanoyl]piperidin-3-yl]acetamide (CID 110080337) is 2-[3-[(4-fluorophenoxy)methyl]-1-[3-(4-fluorophenyl)propanoyl]piperidin-3-yl]acetamide.
What is the SMILES notation for 2-[3-[(4-fluorophenoxy)methyl]-1-[3-(4-fluorophenyl)propanoyl]piperidin-3-yl]acetamide?
The canonical SMILES for 2-[3-[(4-fluorophenoxy)methyl]-1-[3-(4-fluorophenyl)propanoyl]piperidin-3-yl]acetamide is NC(=O)CC1(COc2ccc(F)cc2)CCCN(C(=O)CCc2ccc(F)cc2)C1.
What is the InChIKey of 2-[3-[(4-fluorophenoxy)methyl]-1-[3-(4-fluorophenyl)propanoyl]piperidin-3-yl]acetamide?
The InChIKey is LHWASINIHBVVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N2O3/c24-18-5-2-17(3-6-18)4-11-22(29)27-13-1-12-23(15-27,14-21(26)28)16-30-20-9-7-19(25)8-10-20/h2-3,5-10H,1,4,11-16H2,(H2,26,28).
What are the key properties of 2-[3-[(4-fluorophenoxy)methyl]-1-[3-(4-fluorophenyl)propanoyl]piperidin-3-yl]acetamide?
2-[3-[(4-fluorophenoxy)methyl]-1-[3-(4-fluorophenyl)propanoyl]piperidin-3-yl]acetamide has a molecular weight of 416.47 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-fluorophenoxy)methyl]-1-[3-(4-fluorophenyl)propanoyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 110080337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).