2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

C17H20FN3O2S — CID 92612861

IUPAC2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1CCC[C@@H](COc2ccccc2F)C1)Nc1nccs1
InChIInChI=1S/C17H20FN3O2S/c18-14-5-1-2-6-15(14)23-12-13-4-3-8-21(10-13)11-16(22)20-17-19-7-9-24-17/h1-2,5-7,9,13H,3-4,8,10-12H2,(H,19,20,22)/t13-/m1/s1
InChIKeyWWEAGPDALZWDSE-CYBMUJFWSA-N
MW349.43 g/mol
LogP3.01
Rot. Bonds6

About 2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 92612861) has the molecular formula C17H20FN3O2S and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID92612861
Molecular FormulaC17H20FN3O2S
Molecular Weight349.43 g/mol
Exact Mass349.13
IUPAC Name2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1CCC[C@@H](COc2ccccc2F)C1)Nc1nccs1
InChIInChI=1S/C17H20FN3O2S/c18-14-5-1-2-6-15(14)23-12-13-4-3-8-21(10-13)11-16(22)20-17-19-7-9-24-17/h1-2,5-7,9,13H,3-4,8,10-12H2,(H,19,20,22)/t13-/m1/s1
InChIKeyWWEAGPDALZWDSE-CYBMUJFWSA-N
XLogP3.01
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]acetic acid
CID 165429453
2-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 95818834
2-[(3R)-3-pyridin-4-ylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 125143187
2-[4-(2-fluorophenyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 16674348
(3R)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-phenylpiperidine-3-carboxamide
CID 25490937
N-(2-fluorophenyl)-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]acetamide
CID 163357192
1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 70712182
N-(4-fluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972270
[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 110638623
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 47019585
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 78962803
2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 97212090

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 92612861) is 2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is O=C(CN1CCC[C@@H](COc2ccccc2F)C1)Nc1nccs1.
What is the InChIKey of 2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is WWEAGPDALZWDSE-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20FN3O2S/c18-14-5-1-2-6-15(14)23-12-13-4-3-8-21(10-13)11-16(22)20-17-19-7-9-24-17/h1-2,5-7,9,13H,3-4,8,10-12H2,(H,19,20,22)/t13-/m1/s1.
What are the key properties of 2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 349.43 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 92612861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).