3-methoxy-N-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidin-4-yl]benzamide

C18H22N4O3S — CID 3220977

IUPAC3-methoxy-N-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidin-4-yl]benzamide
SMILESCOc1cccc(C(=O)NC2CCN(CC(=O)Nc3nccs3)CC2)c1
InChIInChI=1S/C18H22N4O3S/c1-25-15-4-2-3-13(11-15)17(24)20-14-5-8-22(9-6-14)12-16(23)21-18-19-7-10-26-18/h2-4,7,10-11,14H,5-6,8-9,12H2,1H3,(H,20,24)(H,19,21,23)
InChIKeyXSXMCCDIIWHQFM-UHFFFAOYSA-N
MW374.47 g/mol
LogP1.98
Rot. Bonds6

About 3-methoxy-N-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidin-4-yl]benzamide

3-methoxy-N-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidin-4-yl]benzamide (PubChem CID 3220977) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 3-methoxy-N-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidin-4-yl]benzamide
PubChem CID3220977
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name3-methoxy-N-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidin-4-yl]benzamide
SMILESCOc1cccc(C(=O)NC2CCN(CC(=O)Nc3nccs3)CC2)c1
InChIInChI=1S/C18H22N4O3S/c1-25-15-4-2-3-13(11-15)17(24)20-14-5-8-22(9-6-14)12-16(23)21-18-19-7-10-26-18/h2-4,7,10-11,14H,5-6,8-9,12H2,1H3,(H,20,24)(H,19,21,23)
InChIKeyXSXMCCDIIWHQFM-UHFFFAOYSA-N
XLogP1.98
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 721308
3-ethoxy-N-(2-thiazolyl)benzamide
CID 792393
3,4-dimethoxy-N-(1,3-thiazol-2-yl)benzamide
CID 721807
3-methoxy-N-[4-(2-pyridyl)thiazol-2-yl]benzamide
CID 5121654
4-(3,3-Dimethyl-butyrylamino)-3-methoxy-N-thiazol-2-yl-benzamide
CID 16122819
N-[(5S)-5-[[(2R,3S)-3-[formyl(hydroxy)amino]-2-(2-methylpropyl)hexanoyl]amino]-6-oxo-6-(1,3-thiazol-2-ylamino)hexyl]-3-methoxybenzamide
CID 44531136
(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]ethynyl]imidazolidine-2,4-dione
CID 46199317
N-(4-Methoxy-benzyl)-N-[(4-methoxy-benzylcarbamoyl)-methyl]-N'-thiazol-2-yl-succinamide
CID 3205335
N-[(4-Fluoro-benzylcarbamoyl)-methyl]-N-(4-methoxy-benzyl)-N'-thiazol-2-yl-succinamide
CID 3205365
N'-(2-methoxyethyl)-N'-[1-(4-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide
CID 3205555
N-(5-(3-(1-acetylpiperazine-4-carbonyl)-5-methoxybenzylthio)thiazol-2-yl)-4-(dimethylamino)benzamide
CID 44410737
3-[[2-(2-methoxyphenyl)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 1967581

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidin-4-yl]benzamide?
The IUPAC name of 3-methoxy-N-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidin-4-yl]benzamide (CID 3220977) is 3-methoxy-N-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 3-methoxy-N-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidin-4-yl]benzamide?
The canonical SMILES for 3-methoxy-N-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidin-4-yl]benzamide is COc1cccc(C(=O)NC2CCN(CC(=O)Nc3nccs3)CC2)c1.
What is the InChIKey of 3-methoxy-N-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidin-4-yl]benzamide?
The InChIKey is XSXMCCDIIWHQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-25-15-4-2-3-13(11-15)17(24)20-14-5-8-22(9-6-14)12-16(23)21-18-19-7-10-26-18/h2-4,7,10-11,14H,5-6,8-9,12H2,1H3,(H,20,24)(H,19,21,23).
What are the key properties of 3-methoxy-N-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidin-4-yl]benzamide?
3-methoxy-N-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidin-4-yl]benzamide has a molecular weight of 374.47 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 3220977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).