(2R,3R,4S,5R)-N-ethyl-3,4-difluoro-5-hydroxy-1-(3-phenylpropyl)piperidine-2-carboxamide

C17H24F2N2O2 — CID 73335745

IUPAC(2R,3R,4S,5R)-N-ethyl-3,4-difluoro-5-hydroxy-1-(3-phenylpropyl)piperidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1[C@@H](F)[C@@H](F)[C@H](O)CN1CCCc1ccccc1
InChIInChI=1S/C17H24F2N2O2/c1-2-20-17(23)16-15(19)14(18)13(22)11-21(16)10-6-9-12-7-4-3-5-8-12/h3-5,7-8,13-16,22H,2,6,9-11H2,1H3,(H,20,23)/t13-,14+,15+,16+/m1/s1
InChIKeyLVFYLRZIBFRUAM-UGUYLWEFSA-N
MW326.39 g/mol
LogP1.48
Rot. Bonds6

About (2R,3R,4S,5R)-N-ethyl-3,4-difluoro-5-hydroxy-1-(3-phenylpropyl)piperidine-2-carboxamide

(2R,3R,4S,5R)-N-ethyl-3,4-difluoro-5-hydroxy-1-(3-phenylpropyl)piperidine-2-carboxamide (PubChem CID 73335745) has the molecular formula C17H24F2N2O2 and a molecular weight of 326.39 g/mol. Its IUPAC name is (2R,3R,4S,5R)-N-ethyl-3,4-difluoro-5-hydroxy-1-(3-phenylpropyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R,3R,4S,5R)-N-ethyl-3,4-difluoro-5-hydroxy-1-(3-phenylpropyl)piperidine-2-carboxamide
PubChem CID73335745
Molecular FormulaC17H24F2N2O2
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Name(2R,3R,4S,5R)-N-ethyl-3,4-difluoro-5-hydroxy-1-(3-phenylpropyl)piperidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1[C@@H](F)[C@@H](F)[C@H](O)CN1CCCc1ccccc1
InChIInChI=1S/C17H24F2N2O2/c1-2-20-17(23)16-15(19)14(18)13(22)11-21(16)10-6-9-12-7-4-3-5-8-12/h3-5,7-8,13-16,22H,2,6,9-11H2,1H3,(H,20,23)/t13-,14+,15+,16+/m1/s1
InChIKeyLVFYLRZIBFRUAM-UGUYLWEFSA-N
XLogP1.48
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-N-ethyl-3,4-difluoro-5-hydroxy-1-(3-phenylpropyl)piperidine-2-carboxamide?
The IUPAC name of (2R,3R,4S,5R)-N-ethyl-3,4-difluoro-5-hydroxy-1-(3-phenylpropyl)piperidine-2-carboxamide (CID 73335745) is (2R,3R,4S,5R)-N-ethyl-3,4-difluoro-5-hydroxy-1-(3-phenylpropyl)piperidine-2-carboxamide.
What is the SMILES notation for (2R,3R,4S,5R)-N-ethyl-3,4-difluoro-5-hydroxy-1-(3-phenylpropyl)piperidine-2-carboxamide?
The canonical SMILES for (2R,3R,4S,5R)-N-ethyl-3,4-difluoro-5-hydroxy-1-(3-phenylpropyl)piperidine-2-carboxamide is CCNC(=O)[C@@H]1[C@@H](F)[C@@H](F)[C@H](O)CN1CCCc1ccccc1.
What is the InChIKey of (2R,3R,4S,5R)-N-ethyl-3,4-difluoro-5-hydroxy-1-(3-phenylpropyl)piperidine-2-carboxamide?
The InChIKey is LVFYLRZIBFRUAM-UGUYLWEFSA-N. The full InChI is InChI=1S/C17H24F2N2O2/c1-2-20-17(23)16-15(19)14(18)13(22)11-21(16)10-6-9-12-7-4-3-5-8-12/h3-5,7-8,13-16,22H,2,6,9-11H2,1H3,(H,20,23)/t13-,14+,15+,16+/m1/s1.
What are the key properties of (2R,3R,4S,5R)-N-ethyl-3,4-difluoro-5-hydroxy-1-(3-phenylpropyl)piperidine-2-carboxamide?
(2R,3R,4S,5R)-N-ethyl-3,4-difluoro-5-hydroxy-1-(3-phenylpropyl)piperidine-2-carboxamide has a molecular weight of 326.39 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-N-ethyl-3,4-difluoro-5-hydroxy-1-(3-phenylpropyl)piperidine-2-carboxamide is sourced from PubChem (CID 73335745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).