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

C17H24F2N2O2 — CID 90044448

IUPAC(2R,3R,4S,5R)-N-ethyl-3,4-difluoro-5-hydroxy-N-(3-phenylpropyl)piperidine-2-carboxamide
SMILESCCN(CCCc1ccccc1)C(=O)[C@H]1NC[C@@H](O)[C@H](F)[C@@H]1F
InChIInChI=1S/C17H24F2N2O2/c1-2-21(10-6-9-12-7-4-3-5-8-12)17(23)16-15(19)14(18)13(22)11-20-16/h3-5,7-8,13-16,20,22H,2,6,9-11H2,1H3/t13-,14+,15+,16+/m1/s1
InChIKeyBCAMEQPTQJHVKZ-UGUYLWEFSA-N
MW326.39 g/mol
LogP1.48
Rot. Bonds6

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

(2R,3R,4S,5R)-N-ethyl-3,4-difluoro-5-hydroxy-N-(3-phenylpropyl)piperidine-2-carboxamide (PubChem CID 90044448) 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-N-(3-phenylpropyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R,3R,4S,5R)-N-ethyl-3,4-difluoro-5-hydroxy-N-(3-phenylpropyl)piperidine-2-carboxamide
PubChem CID90044448
Molecular FormulaC17H24F2N2O2
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Name(2R,3R,4S,5R)-N-ethyl-3,4-difluoro-5-hydroxy-N-(3-phenylpropyl)piperidine-2-carboxamide
SMILESCCN(CCCc1ccccc1)C(=O)[C@H]1NC[C@@H](O)[C@H](F)[C@@H]1F
InChIInChI=1S/C17H24F2N2O2/c1-2-21(10-6-9-12-7-4-3-5-8-12)17(23)16-15(19)14(18)13(22)11-20-16/h3-5,7-8,13-16,20,22H,2,6,9-11H2,1H3/t13-,14+,15+,16+/m1/s1
InChIKeyBCAMEQPTQJHVKZ-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-N-ethyl-3,4-difluoro-5-hydroxy-N-(3-phenylpropyl)piperidine-2-carboxamide?
The IUPAC name of (2R,3R,4S,5R)-N-ethyl-3,4-difluoro-5-hydroxy-N-(3-phenylpropyl)piperidine-2-carboxamide (CID 90044448) is (2R,3R,4S,5R)-N-ethyl-3,4-difluoro-5-hydroxy-N-(3-phenylpropyl)piperidine-2-carboxamide.
What is the SMILES notation for (2R,3R,4S,5R)-N-ethyl-3,4-difluoro-5-hydroxy-N-(3-phenylpropyl)piperidine-2-carboxamide?
The canonical SMILES for (2R,3R,4S,5R)-N-ethyl-3,4-difluoro-5-hydroxy-N-(3-phenylpropyl)piperidine-2-carboxamide is CCN(CCCc1ccccc1)C(=O)[C@H]1NC[C@@H](O)[C@H](F)[C@@H]1F.
What is the InChIKey of (2R,3R,4S,5R)-N-ethyl-3,4-difluoro-5-hydroxy-N-(3-phenylpropyl)piperidine-2-carboxamide?
The InChIKey is BCAMEQPTQJHVKZ-UGUYLWEFSA-N. The full InChI is InChI=1S/C17H24F2N2O2/c1-2-21(10-6-9-12-7-4-3-5-8-12)17(23)16-15(19)14(18)13(22)11-20-16/h3-5,7-8,13-16,20,22H,2,6,9-11H2,1H3/t13-,14+,15+,16+/m1/s1.
What are the key properties of (2R,3R,4S,5R)-N-ethyl-3,4-difluoro-5-hydroxy-N-(3-phenylpropyl)piperidine-2-carboxamide?
(2R,3R,4S,5R)-N-ethyl-3,4-difluoro-5-hydroxy-N-(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-N-(3-phenylpropyl)piperidine-2-carboxamide is sourced from PubChem (CID 90044448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).