2-[(3R,4S)-3-[[1-(2-fluorophenyl)piperidin-4-yl]amino]oxan-4-yl]oxyacetamide

C18H26FN3O3 — CID 91798372

IUPAC2-[(3R,4S)-3-[[1-(2-fluorophenyl)piperidin-4-yl]amino]oxan-4-yl]oxyacetamide
SMILESNC(=O)CO[C@H]1CCOC[C@H]1NC1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H26FN3O3/c19-14-3-1-2-4-16(14)22-8-5-13(6-9-22)21-15-11-24-10-7-17(15)25-12-18(20)23/h1-4,13,15,17,21H,5-12H2,(H2,20,23)/t15-,17+/m1/s1
InChIKeyLBUQBYGLBCMASJ-WBVHZDCISA-N
MW351.42 g/mol
LogP1.04
Rot. Bonds6

About 2-[(3R,4S)-3-[[1-(2-fluorophenyl)piperidin-4-yl]amino]oxan-4-yl]oxyacetamide

2-[(3R,4S)-3-[[1-(2-fluorophenyl)piperidin-4-yl]amino]oxan-4-yl]oxyacetamide (PubChem CID 91798372) has the molecular formula C18H26FN3O3 and a molecular weight of 351.42 g/mol. Its IUPAC name is 2-[(3R,4S)-3-[[1-(2-fluorophenyl)piperidin-4-yl]amino]oxan-4-yl]oxyacetamide.

Molecular Properties

Compound Name2-[(3R,4S)-3-[[1-(2-fluorophenyl)piperidin-4-yl]amino]oxan-4-yl]oxyacetamide
PubChem CID91798372
Molecular FormulaC18H26FN3O3
Molecular Weight351.42 g/mol
Exact Mass351.20
IUPAC Name2-[(3R,4S)-3-[[1-(2-fluorophenyl)piperidin-4-yl]amino]oxan-4-yl]oxyacetamide
SMILESNC(=O)CO[C@H]1CCOC[C@H]1NC1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H26FN3O3/c19-14-3-1-2-4-16(14)22-8-5-13(6-9-22)21-15-11-24-10-7-17(15)25-12-18(20)23/h1-4,13,15,17,21H,5-12H2,(H2,20,23)/t15-,17+/m1/s1
InChIKeyLBUQBYGLBCMASJ-WBVHZDCISA-N
XLogP1.04
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3R,4S)-3-[[1-(3-methoxyphenyl)piperidin-4-yl]amino]oxan-4-yl]oxyacetamide
CID 91772882
2-[(3S,4R)-3-[2-(2-fluorophenyl)ethylcarbamoylamino]oxan-4-yl]oxyacetamide
CID 133265962
(1R,6R)-6-[[1-(2-fluorophenyl)piperidin-4-yl]amino]cyclohex-3-ene-1-carboxamide
CID 131949101
N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-4-fluorobenzamide
CID 91767703
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(oxolan-3-yl)ethanone
CID 104750092
N-cyclohexyl-1-(2-fluorophenyl)piperidin-4-amine
CID 66872138
4-(2-fluorophenyl)-N-[1-(oxolan-3-yloxy)propan-2-yl]piperazine-1-carboxamide
CID 136513665
[4-(2-fluorophenyl)piperazin-1-yl]-[(3S)-morpholin-3-yl]methanone
CID 124513191
N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-2-(3,4-dimethylphenyl)acetamide
CID 91775491
methyl 1-(2-fluorophenyl)piperidine-4-carboxylate
CID 117028042
[4-[[1-(2-fluorophenyl)piperidin-4-yl]amino]piperidin-1-yl]-(4-methylphenyl)methanone
CID 131939878
N-ethyl-1-(2-fluorophenyl)piperidin-4-amine
CID 43315313

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-3-[[1-(2-fluorophenyl)piperidin-4-yl]amino]oxan-4-yl]oxyacetamide?
The IUPAC name of 2-[(3R,4S)-3-[[1-(2-fluorophenyl)piperidin-4-yl]amino]oxan-4-yl]oxyacetamide (CID 91798372) is 2-[(3R,4S)-3-[[1-(2-fluorophenyl)piperidin-4-yl]amino]oxan-4-yl]oxyacetamide.
What is the SMILES notation for 2-[(3R,4S)-3-[[1-(2-fluorophenyl)piperidin-4-yl]amino]oxan-4-yl]oxyacetamide?
The canonical SMILES for 2-[(3R,4S)-3-[[1-(2-fluorophenyl)piperidin-4-yl]amino]oxan-4-yl]oxyacetamide is NC(=O)CO[C@H]1CCOC[C@H]1NC1CCN(c2ccccc2F)CC1.
What is the InChIKey of 2-[(3R,4S)-3-[[1-(2-fluorophenyl)piperidin-4-yl]amino]oxan-4-yl]oxyacetamide?
The InChIKey is LBUQBYGLBCMASJ-WBVHZDCISA-N. The full InChI is InChI=1S/C18H26FN3O3/c19-14-3-1-2-4-16(14)22-8-5-13(6-9-22)21-15-11-24-10-7-17(15)25-12-18(20)23/h1-4,13,15,17,21H,5-12H2,(H2,20,23)/t15-,17+/m1/s1.
What are the key properties of 2-[(3R,4S)-3-[[1-(2-fluorophenyl)piperidin-4-yl]amino]oxan-4-yl]oxyacetamide?
2-[(3R,4S)-3-[[1-(2-fluorophenyl)piperidin-4-yl]amino]oxan-4-yl]oxyacetamide has a molecular weight of 351.42 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3-[[1-(2-fluorophenyl)piperidin-4-yl]amino]oxan-4-yl]oxyacetamide is sourced from PubChem (CID 91798372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).