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

C16H17FN4O2S — CID 97457662

IUPAC(2S,3R)-2-(4-fluorophenyl)-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-oxopiperidine-3-carboxamide
SMILESCc1nnc(NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccc(F)cc2)s1
InChIInChI=1S/C16H17FN4O2S/c1-9-19-20-16(24-9)18-15(23)12-7-8-13(22)21(2)14(12)10-3-5-11(17)6-4-10/h3-6,12,14H,7-8H2,1-2H3,(H,18,20,23)/t12-,14-/m1/s1
InChIKeyIDOCBXPGANXLRW-TZMCWYRMSA-N
MW348.40 g/mol
LogP2.53
Rot. Bonds3

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

(2S,3R)-2-(4-fluorophenyl)-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-oxopiperidine-3-carboxamide (PubChem CID 97457662) has the molecular formula C16H17FN4O2S and a molecular weight of 348.40 g/mol. Its IUPAC name is (2S,3R)-2-(4-fluorophenyl)-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3R)-2-(4-fluorophenyl)-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-oxopiperidine-3-carboxamide
PubChem CID97457662
Molecular FormulaC16H17FN4O2S
Molecular Weight348.40 g/mol
Exact Mass348.11
IUPAC Name(2S,3R)-2-(4-fluorophenyl)-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-oxopiperidine-3-carboxamide
SMILESCc1nnc(NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccc(F)cc2)s1
InChIInChI=1S/C16H17FN4O2S/c1-9-19-20-16(24-9)18-15(23)12-7-8-13(22)21(2)14(12)10-3-5-11(17)6-4-10/h3-6,12,14H,7-8H2,1-2H3,(H,18,20,23)/t12-,14-/m1/s1
InChIKeyIDOCBXPGANXLRW-TZMCWYRMSA-N
XLogP2.53
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-(5-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide
CID 97457770
(2S,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 97457767
(2R,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-phenylpiperidine-3-carboxamide
CID 97457685
(2S,3S)-2-(4-fluorophenyl)-1-methyl-N-(4-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide
CID 97457679
1,2-bis(4-methoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-oxopiperidine-3-carboxamide
CID 16551077
N-cyclopentyl-2-(4-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 75538273
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
(2S,3S)-1-methyl-2-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 95738379
(2S,3S)-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 124505381
(2R,3S)-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-3-carboxamide
CID 97457673

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(4-fluorophenyl)-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (2S,3R)-2-(4-fluorophenyl)-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-oxopiperidine-3-carboxamide (CID 97457662) is (2S,3R)-2-(4-fluorophenyl)-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (2S,3R)-2-(4-fluorophenyl)-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (2S,3R)-2-(4-fluorophenyl)-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-oxopiperidine-3-carboxamide is Cc1nnc(NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccc(F)cc2)s1.
What is the InChIKey of (2S,3R)-2-(4-fluorophenyl)-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-oxopiperidine-3-carboxamide?
The InChIKey is IDOCBXPGANXLRW-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H17FN4O2S/c1-9-19-20-16(24-9)18-15(23)12-7-8-13(22)21(2)14(12)10-3-5-11(17)6-4-10/h3-6,12,14H,7-8H2,1-2H3,(H,18,20,23)/t12-,14-/m1/s1.
What are the key properties of (2S,3R)-2-(4-fluorophenyl)-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-oxopiperidine-3-carboxamide?
(2S,3R)-2-(4-fluorophenyl)-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-oxopiperidine-3-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(4-fluorophenyl)-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 97457662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).