2-[(3S)-1-[2-(3-fluorophenoxy)acetyl]-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide

C22H24F2N2O4 — CID 125017342

IUPAC2-[(3S)-1-[2-(3-fluorophenoxy)acetyl]-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide
SMILESNC(=O)C[C@@]1(COc2ccc(F)cc2)CCCN(C(=O)COc2cccc(F)c2)C1
InChIInChI=1S/C22H24F2N2O4/c23-16-5-7-18(8-6-16)30-15-22(12-20(25)27)9-2-10-26(14-22)21(28)13-29-19-4-1-3-17(24)11-19/h1,3-8,11H,2,9-10,12-15H2,(H2,25,27)/t22-/m0/s1
InChIKeyXGSRZWBGJUKTBM-QFIPXVFZSA-N
MW418.44 g/mol
LogP2.91
Rot. Bonds8

About 2-[(3S)-1-[2-(3-fluorophenoxy)acetyl]-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide

2-[(3S)-1-[2-(3-fluorophenoxy)acetyl]-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide (PubChem CID 125017342) has the molecular formula C22H24F2N2O4 and a molecular weight of 418.44 g/mol. Its IUPAC name is 2-[(3S)-1-[2-(3-fluorophenoxy)acetyl]-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[(3S)-1-[2-(3-fluorophenoxy)acetyl]-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide
PubChem CID125017342
Molecular FormulaC22H24F2N2O4
Molecular Weight418.44 g/mol
Exact Mass418.17
IUPAC Name2-[(3S)-1-[2-(3-fluorophenoxy)acetyl]-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide
SMILESNC(=O)C[C@@]1(COc2ccc(F)cc2)CCCN(C(=O)COc2cccc(F)c2)C1
InChIInChI=1S/C22H24F2N2O4/c23-16-5-7-18(8-6-16)30-15-22(12-20(25)27)9-2-10-26(14-22)21(28)13-29-19-4-1-3-17(24)11-19/h1,3-8,11H,2,9-10,12-15H2,(H2,25,27)/t22-/m0/s1
InChIKeyXGSRZWBGJUKTBM-QFIPXVFZSA-N
XLogP2.91
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-3-[(3-chlorophenoxy)methyl]-1-[2-(3-fluorophenoxy)acetyl]piperidin-3-yl]acetamide
CID 124962740
2-[3-[(4-fluorophenoxy)methyl]-1-[3-(4-fluorophenyl)propanoyl]piperidin-3-yl]acetamide
CID 110080337
2-[(3R)-3-[(4-fluorophenoxy)methyl]-1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]acetamide
CID 124955846
2-[1-[2-(4-chlorophenoxy)acetyl]-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]-1-piperidin-1-ylethanone
CID 110080220
2-[(3R)-3-[(4-fluorophenoxy)methyl]-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide
CID 124960218
2-[1-(4-ethylbenzoyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide
CID 110080380
N-benzyl-2-[3-[(3-chlorophenoxy)methyl]-1-[2-(4-fluorophenoxy)acetyl]piperidin-3-yl]-N-methylacetamide
CID 110079068
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
2-[(3S)-1-[2-(2-ethylimidazol-1-yl)acetyl]-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide
CID 124945608
1-[3-[(3-fluorophenoxy)methyl]-3-hydroxypyrrolidin-1-yl]-2-phenoxyethanone
CID 132770532
2-[(3R)-3-[(4-chloro-3-methylphenoxy)methyl]-1-(2,6-difluorobenzoyl)piperidin-3-yl]acetamide
CID 124957242

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-[2-(3-fluorophenoxy)acetyl]-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide?
The IUPAC name of 2-[(3S)-1-[2-(3-fluorophenoxy)acetyl]-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide (CID 125017342) is 2-[(3S)-1-[2-(3-fluorophenoxy)acetyl]-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide.
What is the SMILES notation for 2-[(3S)-1-[2-(3-fluorophenoxy)acetyl]-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide?
The canonical SMILES for 2-[(3S)-1-[2-(3-fluorophenoxy)acetyl]-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide is NC(=O)C[C@@]1(COc2ccc(F)cc2)CCCN(C(=O)COc2cccc(F)c2)C1.
What is the InChIKey of 2-[(3S)-1-[2-(3-fluorophenoxy)acetyl]-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide?
The InChIKey is XGSRZWBGJUKTBM-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H24F2N2O4/c23-16-5-7-18(8-6-16)30-15-22(12-20(25)27)9-2-10-26(14-22)21(28)13-29-19-4-1-3-17(24)11-19/h1,3-8,11H,2,9-10,12-15H2,(H2,25,27)/t22-/m0/s1.
What are the key properties of 2-[(3S)-1-[2-(3-fluorophenoxy)acetyl]-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide?
2-[(3S)-1-[2-(3-fluorophenoxy)acetyl]-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide has a molecular weight of 418.44 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-[2-(3-fluorophenoxy)acetyl]-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 125017342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).