(2S,3S)-2-(4-fluorophenyl)-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide

C17H18FN3O2S — CID 97457770

IUPAC(2S,3S)-2-(4-fluorophenyl)-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide
SMILESCc1cnc(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccc(F)cc2)s1
InChIInChI=1S/C17H18FN3O2S/c1-10-9-19-17(24-10)20-16(23)13-7-8-14(22)21(2)15(13)11-3-5-12(18)6-4-11/h3-6,9,13,15H,7-8H2,1-2H3,(H,19,20,23)/t13-,15+/m0/s1
InChIKeyKNDQWDHDEPLPHG-DZGCQCFKSA-N
MW347.42 g/mol
LogP3.14
Rot. Bonds3

About (2S,3S)-2-(4-fluorophenyl)-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide

(2S,3S)-2-(4-fluorophenyl)-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide (PubChem CID 97457770) has the molecular formula C17H18FN3O2S and a molecular weight of 347.42 g/mol. Its IUPAC name is (2S,3S)-2-(4-fluorophenyl)-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-(4-fluorophenyl)-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide
PubChem CID97457770
Molecular FormulaC17H18FN3O2S
Molecular Weight347.42 g/mol
Exact Mass347.11
IUPAC Name(2S,3S)-2-(4-fluorophenyl)-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide
SMILESCc1cnc(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccc(F)cc2)s1
InChIInChI=1S/C17H18FN3O2S/c1-10-9-19-17(24-10)20-16(23)13-7-8-14(22)21(2)15(13)11-3-5-12(18)6-4-11/h3-6,9,13,15H,7-8H2,1-2H3,(H,19,20,23)/t13-,15+/m0/s1
InChIKeyKNDQWDHDEPLPHG-DZGCQCFKSA-N
XLogP3.14
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 97457767
(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
N-cyclopentyl-2-(4-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 75538273
(2R,3S)-1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 124607174
2-(4-fluorophenyl)-N-(7-methoxyquinolin-3-yl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 110279403
(2S,3S)-1-methyl-2-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 95738379
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
(2R,3S)-3-(4-chlorophenyl)-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-5-oxomorpholine-2-carboxamide
CID 95739671

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(4-fluorophenyl)-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (2S,3S)-2-(4-fluorophenyl)-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide (CID 97457770) is (2S,3S)-2-(4-fluorophenyl)-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (2S,3S)-2-(4-fluorophenyl)-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (2S,3S)-2-(4-fluorophenyl)-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide is Cc1cnc(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccc(F)cc2)s1.
What is the InChIKey of (2S,3S)-2-(4-fluorophenyl)-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide?
The InChIKey is KNDQWDHDEPLPHG-DZGCQCFKSA-N. The full InChI is InChI=1S/C17H18FN3O2S/c1-10-9-19-17(24-10)20-16(23)13-7-8-14(22)21(2)15(13)11-3-5-12(18)6-4-11/h3-6,9,13,15H,7-8H2,1-2H3,(H,19,20,23)/t13-,15+/m0/s1.
What are the key properties of (2S,3S)-2-(4-fluorophenyl)-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide?
(2S,3S)-2-(4-fluorophenyl)-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.14, 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-N-(5-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 97457770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).