(2S,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide

C18H23FN2O3 — CID 97457751

IUPAC(2S,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide
SMILESCN1C(=O)CC[C@H](C(=O)NC[C@@H]2CCCO2)[C@H]1c1ccc(F)cc1
InChIInChI=1S/C18H23FN2O3/c1-21-16(22)9-8-15(17(21)12-4-6-13(19)7-5-12)18(23)20-11-14-3-2-10-24-14/h4-7,14-15,17H,2-3,8-11H2,1H3,(H,20,23)/t14-,15-,17+/m0/s1
InChIKeyHDUOHVCHFUIZIQ-YQQAZPJKSA-N
MW334.39 g/mol
LogP2.03
Rot. Bonds4

About (2S,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide

(2S,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide (PubChem CID 97457751) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is (2S,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide
PubChem CID97457751
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name(2S,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide
SMILESCN1C(=O)CC[C@H](C(=O)NC[C@@H]2CCCO2)[C@H]1c1ccc(F)cc1
InChIInChI=1S/C18H23FN2O3/c1-21-16(22)9-8-15(17(21)12-4-6-13(19)7-5-12)18(23)20-11-14-3-2-10-24-14/h4-7,14-15,17H,2-3,8-11H2,1H3,(H,20,23)/t14-,15-,17+/m0/s1
InChIKeyHDUOHVCHFUIZIQ-YQQAZPJKSA-N
XLogP2.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-[[(2S)-oxolan-2-yl]methyl]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

Related Compounds

(2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 100856248
(2R,3S)-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 97457705
(2S,3R)-4-methyl-3-(4-methylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]morpholine-2-carboxamide
CID 97457385
2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-3-carboxamide
CID 75538264
(2R,3S)-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-3-carboxamide
CID 97457673
(2S,3S)-4-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3-phenylmorpholine-2-carboxamide
CID 100802698
(5S,6R)-6-(4-fluorophenyl)-1-methyl-5-(morpholine-4-carbonyl)piperidin-2-one
CID 97457697
(3S)-1-(4-fluorophenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 7369086
(2R,3R)-N,N-diethyl-2-(4-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 97457688
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
(2S,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 97457767
1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 6463187

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of (2S,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide (CID 97457751) is (2S,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (2S,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for (2S,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide is CN1C(=O)CC[C@H](C(=O)NC[C@@H]2CCCO2)[C@H]1c1ccc(F)cc1.
What is the InChIKey of (2S,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide?
The InChIKey is HDUOHVCHFUIZIQ-YQQAZPJKSA-N. The full InChI is InChI=1S/C18H23FN2O3/c1-21-16(22)9-8-15(17(21)12-4-6-13(19)7-5-12)18(23)20-11-14-3-2-10-24-14/h4-7,14-15,17H,2-3,8-11H2,1H3,(H,20,23)/t14-,15-,17+/m0/s1.
What are the key properties of (2S,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide?
(2S,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide has a molecular weight of 334.39 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 97457751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).