(2R,3R)-1-ethyl-2-(2-fluorophenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

C20H22FN3O2 — CID 110086760

IUPAC(2R,3R)-1-ethyl-2-(2-fluorophenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESCCN1C(=O)CC[C@@H](C(=O)NCc2ccccn2)[C@@H]1c1ccccc1F
InChIInChI=1S/C20H22FN3O2/c1-2-24-18(25)11-10-16(19(24)15-8-3-4-9-17(15)21)20(26)23-13-14-7-5-6-12-22-14/h3-9,12,16,19H,2,10-11,13H2,1H3,(H,23,26)/t16-,19+/m1/s1
InChIKeyLNIIFVAEKBJYIE-APWZRJJASA-N
MW355.41 g/mol
LogP2.84
Rot. Bonds5

About (2R,3R)-1-ethyl-2-(2-fluorophenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

(2R,3R)-1-ethyl-2-(2-fluorophenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 110086760) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is (2R,3R)-1-ethyl-2-(2-fluorophenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-1-ethyl-2-(2-fluorophenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
PubChem CID110086760
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name(2R,3R)-1-ethyl-2-(2-fluorophenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESCCN1C(=O)CC[C@@H](C(=O)NCc2ccccn2)[C@@H]1c1ccccc1F
InChIInChI=1S/C20H22FN3O2/c1-2-24-18(25)11-10-16(19(24)15-8-3-4-9-17(15)21)20(26)23-13-14-7-5-6-12-22-14/h3-9,12,16,19H,2,10-11,13H2,1H3,(H,23,26)/t16-,19+/m1/s1
InChIKeyLNIIFVAEKBJYIE-APWZRJJASA-N
XLogP2.84
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R,3R)-1-ethyl-2-(2-fluorophenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-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)-1-ethyl-2-(2-fluorophenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (2R,3R)-1-ethyl-2-(2-fluorophenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (CID 110086760) is (2R,3R)-1-ethyl-2-(2-fluorophenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-1-ethyl-2-(2-fluorophenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (2R,3R)-1-ethyl-2-(2-fluorophenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is CCN1C(=O)CC[C@@H](C(=O)NCc2ccccn2)[C@@H]1c1ccccc1F.
What is the InChIKey of (2R,3R)-1-ethyl-2-(2-fluorophenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is LNIIFVAEKBJYIE-APWZRJJASA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-2-24-18(25)11-10-16(19(24)15-8-3-4-9-17(15)21)20(26)23-13-14-7-5-6-12-22-14/h3-9,12,16,19H,2,10-11,13H2,1H3,(H,23,26)/t16-,19+/m1/s1.
What are the key properties of (2R,3R)-1-ethyl-2-(2-fluorophenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
(2R,3R)-1-ethyl-2-(2-fluorophenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 355.41 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-ethyl-2-(2-fluorophenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 110086760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).