2-(2-methylphenoxy)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide

C17H21N3O2S — CID 90597199

IUPAC2-(2-methylphenoxy)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide
SMILESCc1ccccc1OCC(=O)NC1CCN(c2nccs2)CC1
InChIInChI=1S/C17H21N3O2S/c1-13-4-2-3-5-15(13)22-12-16(21)19-14-6-9-20(10-7-14)17-18-8-11-23-17/h2-5,8,11,14H,6-7,9-10,12H2,1H3,(H,19,21)
InChIKeyAQZLWNQRGCOKTA-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.62
Rot. Bonds5

About 2-(2-methylphenoxy)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide

2-(2-methylphenoxy)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide (PubChem CID 90597199) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide
PubChem CID90597199
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name2-(2-methylphenoxy)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide
SMILESCc1ccccc1OCC(=O)NC1CCN(c2nccs2)CC1
InChIInChI=1S/C17H21N3O2S/c1-13-4-2-3-5-15(13)22-12-16(21)19-14-6-9-20(10-7-14)17-18-8-11-23-17/h2-5,8,11,14H,6-7,9-10,12H2,1H3,(H,19,21)
InChIKeyAQZLWNQRGCOKTA-UHFFFAOYSA-N
XLogP2.62
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylphenoxy)-N-(1-phenylpiperidin-4-yl)acetamide
CID 110735883
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(2-methylphenoxy)acetamide
CID 110819454
3-(3-methylthiophen-2-yl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide
CID 90597292
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-(2-methylphenoxy)acetamide
CID 110819905
4-phenyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]butanamide
CID 90597351
3-(4-chloro-3-methylphenyl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide
CID 90597302
ethyl 4-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]piperidine-1-carboxylate
CID 75519126
2-methylsulfanyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 90597201
4-phenyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 90597412
N-cyclopropyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 29439867
N'-[3-(2-methylphenoxy)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111803614
4-methyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]thiophene-2-carboxamide
CID 90597173

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide (CID 90597199) is 2-(2-methylphenoxy)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide is Cc1ccccc1OCC(=O)NC1CCN(c2nccs2)CC1.
What is the InChIKey of 2-(2-methylphenoxy)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide?
The InChIKey is AQZLWNQRGCOKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-13-4-2-3-5-15(13)22-12-16(21)19-14-6-9-20(10-7-14)17-18-8-11-23-17/h2-5,8,11,14H,6-7,9-10,12H2,1H3,(H,19,21).
What are the key properties of 2-(2-methylphenoxy)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide?
2-(2-methylphenoxy)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide has a molecular weight of 331.44 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 90597199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).