(2R,3S)-2-[1-[2-(3-fluorophenoxy)acetyl]piperidin-4-yl]oxolane-3-carboxamide

C18H23FN2O4 — CID 128979442

IUPAC(2R,3S)-2-[1-[2-(3-fluorophenoxy)acetyl]piperidin-4-yl]oxolane-3-carboxamide
SMILESNC(=O)[C@H]1CCO[C@@H]1C1CCN(C(=O)COc2cccc(F)c2)CC1
InChIInChI=1S/C18H23FN2O4/c19-13-2-1-3-14(10-13)25-11-16(22)21-7-4-12(5-8-21)17-15(18(20)23)6-9-24-17/h1-3,10,12,15,17H,4-9,11H2,(H2,20,23)/t15-,17+/m0/s1
InChIKeyCOUGRIZXSJXXJK-DOTOQJQBSA-N
MW350.39 g/mol
LogP1.33
Rot. Bonds5

About (2R,3S)-2-[1-[2-(3-fluorophenoxy)acetyl]piperidin-4-yl]oxolane-3-carboxamide

(2R,3S)-2-[1-[2-(3-fluorophenoxy)acetyl]piperidin-4-yl]oxolane-3-carboxamide (PubChem CID 128979442) has the molecular formula C18H23FN2O4 and a molecular weight of 350.39 g/mol. Its IUPAC name is (2R,3S)-2-[1-[2-(3-fluorophenoxy)acetyl]piperidin-4-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-[1-[2-(3-fluorophenoxy)acetyl]piperidin-4-yl]oxolane-3-carboxamide
PubChem CID128979442
Molecular FormulaC18H23FN2O4
Molecular Weight350.39 g/mol
Exact Mass350.16
IUPAC Name(2R,3S)-2-[1-[2-(3-fluorophenoxy)acetyl]piperidin-4-yl]oxolane-3-carboxamide
SMILESNC(=O)[C@H]1CCO[C@@H]1C1CCN(C(=O)COc2cccc(F)c2)CC1
InChIInChI=1S/C18H23FN2O4/c19-13-2-1-3-14(10-13)25-11-16(22)21-7-4-12(5-8-21)17-15(18(20)23)6-9-24-17/h1-3,10,12,15,17H,4-9,11H2,(H2,20,23)/t15-,17+/m0/s1
InChIKeyCOUGRIZXSJXXJK-DOTOQJQBSA-N
XLogP1.33
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluorophenoxy)-1-[4-(oxane-4-carbonyl)piperazin-1-yl]ethanone
CID 154838081
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3-fluorophenoxy)ethanone
CID 120817079
2-(3-fluorophenoxy)-1-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 97156389
2-(3-fluorophenoxy)-1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
CID 72939846
2-(3-fluorophenoxy)-1-(9-hydroxy-3-azabicyclo[3.3.1]nonan-3-yl)ethanone
CID 154837948
2-(3-fluorophenoxy)-1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 110156703
1-[4-[2-(3-fluorophenoxy)acetyl]piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 110818928
1-(4-benzoylpiperazin-1-yl)-2-(3-fluorophenoxy)ethanone
CID 8501561
N-cyclopropyl-2-[4-[2-(3-fluorophenoxy)acetyl]piperazin-1-yl]acetamide
CID 51221111
2-(3-fluorophenoxy)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 66260737
2-(3-fluorophenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone
CID 110818418
2-(3-fluorophenoxy)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone
CID 110665118

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[1-[2-(3-fluorophenoxy)acetyl]piperidin-4-yl]oxolane-3-carboxamide?
The IUPAC name of (2R,3S)-2-[1-[2-(3-fluorophenoxy)acetyl]piperidin-4-yl]oxolane-3-carboxamide (CID 128979442) is (2R,3S)-2-[1-[2-(3-fluorophenoxy)acetyl]piperidin-4-yl]oxolane-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-[1-[2-(3-fluorophenoxy)acetyl]piperidin-4-yl]oxolane-3-carboxamide?
The canonical SMILES for (2R,3S)-2-[1-[2-(3-fluorophenoxy)acetyl]piperidin-4-yl]oxolane-3-carboxamide is NC(=O)[C@H]1CCO[C@@H]1C1CCN(C(=O)COc2cccc(F)c2)CC1.
What is the InChIKey of (2R,3S)-2-[1-[2-(3-fluorophenoxy)acetyl]piperidin-4-yl]oxolane-3-carboxamide?
The InChIKey is COUGRIZXSJXXJK-DOTOQJQBSA-N. The full InChI is InChI=1S/C18H23FN2O4/c19-13-2-1-3-14(10-13)25-11-16(22)21-7-4-12(5-8-21)17-15(18(20)23)6-9-24-17/h1-3,10,12,15,17H,4-9,11H2,(H2,20,23)/t15-,17+/m0/s1.
What are the key properties of (2R,3S)-2-[1-[2-(3-fluorophenoxy)acetyl]piperidin-4-yl]oxolane-3-carboxamide?
(2R,3S)-2-[1-[2-(3-fluorophenoxy)acetyl]piperidin-4-yl]oxolane-3-carboxamide has a molecular weight of 350.39 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[1-[2-(3-fluorophenoxy)acetyl]piperidin-4-yl]oxolane-3-carboxamide is sourced from PubChem (CID 128979442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).