2-[(2R)-1-benzoylpiperidin-2-yl]-N-methyl-1,3-thiazole-5-carboxamide

C17H19N3O2S — CID 124972626

IUPAC2-[(2R)-1-benzoylpiperidin-2-yl]-N-methyl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1cnc([C@H]2CCCCN2C(=O)c2ccccc2)s1
InChIInChI=1S/C17H19N3O2S/c1-18-15(21)14-11-19-16(23-14)13-9-5-6-10-20(13)17(22)12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3,(H,18,21)/t13-/m1/s1
InChIKeyKEMOMLPOXABOGX-CYBMUJFWSA-N
MW329.43 g/mol
LogP2.87
Rot. Bonds3

About 2-[(2R)-1-benzoylpiperidin-2-yl]-N-methyl-1,3-thiazole-5-carboxamide

2-[(2R)-1-benzoylpiperidin-2-yl]-N-methyl-1,3-thiazole-5-carboxamide (PubChem CID 124972626) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 2-[(2R)-1-benzoylpiperidin-2-yl]-N-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(2R)-1-benzoylpiperidin-2-yl]-N-methyl-1,3-thiazole-5-carboxamide
PubChem CID124972626
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name2-[(2R)-1-benzoylpiperidin-2-yl]-N-methyl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1cnc([C@H]2CCCCN2C(=O)c2ccccc2)s1
InChIInChI=1S/C17H19N3O2S/c1-18-15(21)14-11-19-16(23-14)13-9-5-6-10-20(13)17(22)12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3,(H,18,21)/t13-/m1/s1
InChIKeyKEMOMLPOXABOGX-CYBMUJFWSA-N
XLogP2.87
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide
CID 110110288
2-[(2R)-1-(2,2-dimethylpropanoyl)piperidin-2-yl]-N-methyl-1,3-thiazole-5-carboxamide
CID 125008264
N-methyl-2-(1-pyridin-2-ylpiperidin-2-yl)-1,3-thiazole-5-carboxamide
CID 110095103
[2-[6-(cyclopropylamino)-3-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 102540373
N,N-dimethyl-2-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide
CID 124952535
(2-hydroxypiperidin-1-yl)-phenylmethanone
CID 14920288
[2-(furan-3-yl)piperidin-1-yl]-phenylmethanone
CID 102544350
N-methyl-2-[(2S)-piperidin-2-yl]-1,3-thiazole-5-carboxamide
CID 124955227
[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 51332361
[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 125001597
2-(1-benzoylpiperidin-2-yl)-N-benzyl-4-methylpyrimidine-5-carboxamide
CID 110247749
phenyl-[2-(2-piperidin-1-yl-3-pyridinyl)piperidin-1-yl]methanone
CID 102541555

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-benzoylpiperidin-2-yl]-N-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(2R)-1-benzoylpiperidin-2-yl]-N-methyl-1,3-thiazole-5-carboxamide (CID 124972626) is 2-[(2R)-1-benzoylpiperidin-2-yl]-N-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(2R)-1-benzoylpiperidin-2-yl]-N-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(2R)-1-benzoylpiperidin-2-yl]-N-methyl-1,3-thiazole-5-carboxamide is CNC(=O)c1cnc([C@H]2CCCCN2C(=O)c2ccccc2)s1.
What is the InChIKey of 2-[(2R)-1-benzoylpiperidin-2-yl]-N-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is KEMOMLPOXABOGX-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-18-15(21)14-11-19-16(23-14)13-9-5-6-10-20(13)17(22)12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3,(H,18,21)/t13-/m1/s1.
What are the key properties of 2-[(2R)-1-benzoylpiperidin-2-yl]-N-methyl-1,3-thiazole-5-carboxamide?
2-[(2R)-1-benzoylpiperidin-2-yl]-N-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-benzoylpiperidin-2-yl]-N-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 124972626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).