4-[(2S,3R)-3-aminooxolan-2-yl]-N-[(1S)-1-(2,3-difluorophenyl)ethyl]piperidine-1-carboxamide

C18H25F2N3O2 — CID 129347729

IUPAC4-[(2S,3R)-3-aminooxolan-2-yl]-N-[(1S)-1-(2,3-difluorophenyl)ethyl]piperidine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCC([C@@H]2OCC[C@H]2N)CC1)c1cccc(F)c1F
InChIInChI=1S/C18H25F2N3O2/c1-11(13-3-2-4-14(19)16(13)20)22-18(24)23-8-5-12(6-9-23)17-15(21)7-10-25-17/h2-4,11-12,15,17H,5-10,21H2,1H3,(H,22,24)/t11-,15+,17-/m0/s1
InChIKeyIJXIVIZWWWLFMC-CXMBCZLWSA-N
MW353.41 g/mol
LogP2.56
Rot. Bonds3

About 4-[(2S,3R)-3-aminooxolan-2-yl]-N-[(1S)-1-(2,3-difluorophenyl)ethyl]piperidine-1-carboxamide

4-[(2S,3R)-3-aminooxolan-2-yl]-N-[(1S)-1-(2,3-difluorophenyl)ethyl]piperidine-1-carboxamide (PubChem CID 129347729) has the molecular formula C18H25F2N3O2 and a molecular weight of 353.41 g/mol. Its IUPAC name is 4-[(2S,3R)-3-aminooxolan-2-yl]-N-[(1S)-1-(2,3-difluorophenyl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(2S,3R)-3-aminooxolan-2-yl]-N-[(1S)-1-(2,3-difluorophenyl)ethyl]piperidine-1-carboxamide
PubChem CID129347729
Molecular FormulaC18H25F2N3O2
Molecular Weight353.41 g/mol
Exact Mass353.19
IUPAC Name4-[(2S,3R)-3-aminooxolan-2-yl]-N-[(1S)-1-(2,3-difluorophenyl)ethyl]piperidine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCC([C@@H]2OCC[C@H]2N)CC1)c1cccc(F)c1F
InChIInChI=1S/C18H25F2N3O2/c1-11(13-3-2-4-14(19)16(13)20)22-18(24)23-8-5-12(6-9-23)17-15(21)7-10-25-17/h2-4,11-12,15,17H,5-10,21H2,1H3,(H,22,24)/t11-,15+,17-/m0/s1
InChIKeyIJXIVIZWWWLFMC-CXMBCZLWSA-N
XLogP2.56
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S,3R)-3-aminooxolan-2-yl]-N-[(1S)-1-(2,3-difluorophenyl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 4-[(2S,3R)-3-aminooxolan-2-yl]-N-[(1S)-1-(2,3-difluorophenyl)ethyl]piperidine-1-carboxamide (CID 129347729) is 4-[(2S,3R)-3-aminooxolan-2-yl]-N-[(1S)-1-(2,3-difluorophenyl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[(2S,3R)-3-aminooxolan-2-yl]-N-[(1S)-1-(2,3-difluorophenyl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[(2S,3R)-3-aminooxolan-2-yl]-N-[(1S)-1-(2,3-difluorophenyl)ethyl]piperidine-1-carboxamide is C[C@H](NC(=O)N1CCC([C@@H]2OCC[C@H]2N)CC1)c1cccc(F)c1F.
What is the InChIKey of 4-[(2S,3R)-3-aminooxolan-2-yl]-N-[(1S)-1-(2,3-difluorophenyl)ethyl]piperidine-1-carboxamide?
The InChIKey is IJXIVIZWWWLFMC-CXMBCZLWSA-N. The full InChI is InChI=1S/C18H25F2N3O2/c1-11(13-3-2-4-14(19)16(13)20)22-18(24)23-8-5-12(6-9-23)17-15(21)7-10-25-17/h2-4,11-12,15,17H,5-10,21H2,1H3,(H,22,24)/t11-,15+,17-/m0/s1.
What are the key properties of 4-[(2S,3R)-3-aminooxolan-2-yl]-N-[(1S)-1-(2,3-difluorophenyl)ethyl]piperidine-1-carboxamide?
4-[(2S,3R)-3-aminooxolan-2-yl]-N-[(1S)-1-(2,3-difluorophenyl)ethyl]piperidine-1-carboxamide has a molecular weight of 353.41 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,3R)-3-aminooxolan-2-yl]-N-[(1S)-1-(2,3-difluorophenyl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 129347729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).