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

C16H16FN3O2S — CID 97457767

IUPAC(2S,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCN1C(=O)CC[C@H](C(=O)Nc2nccs2)[C@H]1c1ccc(F)cc1
InChIInChI=1S/C16H16FN3O2S/c1-20-13(21)7-6-12(15(22)19-16-18-8-9-23-16)14(20)10-2-4-11(17)5-3-10/h2-5,8-9,12,14H,6-7H2,1H3,(H,18,19,22)/t12-,14+/m0/s1
InChIKeyAYAMLFAVGRGZKE-GXTWGEPZSA-N
MW333.39 g/mol
LogP2.83
Rot. Bonds3

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

(2S,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 97457767) has the molecular formula C16H16FN3O2S and a molecular weight of 333.39 g/mol. Its IUPAC name is (2S,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID97457767
Molecular FormulaC16H16FN3O2S
Molecular Weight333.39 g/mol
Exact Mass333.09
IUPAC Name(2S,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCN1C(=O)CC[C@H](C(=O)Nc2nccs2)[C@H]1c1ccc(F)cc1
InChIInChI=1S/C16H16FN3O2S/c1-20-13(21)7-6-12(15(22)19-16-18-8-9-23-16)14(20)10-2-4-11(17)5-3-10/h2-5,8-9,12,14H,6-7H2,1H3,(H,18,19,22)/t12-,14+/m0/s1
InChIKeyAYAMLFAVGRGZKE-GXTWGEPZSA-N
XLogP2.83
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-1-methyl-2-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 95738379
(2S,3S)-2-(4-fluorophenyl)-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide
CID 97457770
(2S,3R)-2-(4-fluorophenyl)-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-oxopiperidine-3-carboxamide
CID 97457662
2-(4-fluorophenyl)-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-oxopiperidine-3-carboxamide
CID 75538262
(2S,3S)-2-(4-fluorophenyl)-1-methyl-N-(4-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide
CID 97457679
(2R,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-phenylpiperidine-3-carboxamide
CID 97457685
5-acetyl-6-(4-fluorophenyl)-1-methylpiperidin-2-one
CID 18715100
(2R,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-propylpiperidine-3-carboxamide
CID 97457717
4-methyl-3-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)morpholine-2-carboxamide
CID 75538201
(2S,3R)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 97457753
2-(4-fluorophenyl)-N-(7-methoxyquinolin-3-yl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 110279403
(2S,3S)-1-(4-methoxyphenyl)-6-oxo-2-phenyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 9398753

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of (2S,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 97457767) is (2S,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (2S,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (2S,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is CN1C(=O)CC[C@H](C(=O)Nc2nccs2)[C@H]1c1ccc(F)cc1.
What is the InChIKey of (2S,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is AYAMLFAVGRGZKE-GXTWGEPZSA-N. The full InChI is InChI=1S/C16H16FN3O2S/c1-20-13(21)7-6-12(15(22)19-16-18-8-9-23-16)14(20)10-2-4-11(17)5-3-10/h2-5,8-9,12,14H,6-7H2,1H3,(H,18,19,22)/t12-,14+/m0/s1.
What are the key properties of (2S,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
(2S,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 97457767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).