2-(piperidin-3-ylmethoxy)-1-(1,3-thiazol-2-yl)ethanone

C11H16N2O2S — CID 71645242

IUPAC2-(piperidin-3-ylmethoxy)-1-(1,3-thiazol-2-yl)ethanone
SMILESO=C(COCC1CCCNC1)c1nccs1
InChIInChI=1S/C11H16N2O2S/c14-10(11-13-4-5-16-11)8-15-7-9-2-1-3-12-6-9/h4-5,9,12H,1-3,6-8H2
InChIKeyLXCYWKCIFIVPBI-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.34
Rot. Bonds5

About 2-(piperidin-3-ylmethoxy)-1-(1,3-thiazol-2-yl)ethanone

2-(piperidin-3-ylmethoxy)-1-(1,3-thiazol-2-yl)ethanone (PubChem CID 71645242) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-(piperidin-3-ylmethoxy)-1-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name2-(piperidin-3-ylmethoxy)-1-(1,3-thiazol-2-yl)ethanone
PubChem CID71645242
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name2-(piperidin-3-ylmethoxy)-1-(1,3-thiazol-2-yl)ethanone
SMILESO=C(COCC1CCCNC1)c1nccs1
InChIInChI=1S/C11H16N2O2S/c14-10(11-13-4-5-16-11)8-15-7-9-2-1-3-12-6-9/h4-5,9,12H,1-3,6-8H2
InChIKeyLXCYWKCIFIVPBI-UHFFFAOYSA-N
XLogP1.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(3S)-piperidin-3-yl]methoxy]-1-pyridin-2-ylethanone
CID 97165742
2-(piperidin-3-ylamino)-1-(1,3-thiazol-2-yl)ethanone;hydrochloride
CID 71645037
2-[[(3R)-piperidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone;hydrochloride
CID 71644976
2-[methyl-[(3R)-piperidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone
CID 71641614
2-[[(3S)-pyrrolidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone
CID 71645013
1-pyrazin-2-yl-2-[[(3S)-pyrrolidin-3-yl]methoxy]ethanone
CID 97165756
methyl 2-[[(3S)-piperidin-3-yl]methoxy]acetate
CID 169177589
2-(pyrrolidin-3-ylamino)-1-(1,3-thiazol-2-yl)ethanone;hydrochloride
CID 71645049
2-[[(3S)-piperidin-3-yl]methylsulfonyl]-1,3-thiazole
CID 97165990
2-(2-piperidin-3-ylethoxy)-1-thiophen-2-ylethanone;hydrochloride
CID 71645283
3-(2-chloroprop-2-enoxymethyl)piperidine
CID 62340903
2-[[(3R)-piperidin-3-yl]methoxy]pyrimidine
CID 86318074

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-3-ylmethoxy)-1-(1,3-thiazol-2-yl)ethanone?
The IUPAC name of 2-(piperidin-3-ylmethoxy)-1-(1,3-thiazol-2-yl)ethanone (CID 71645242) is 2-(piperidin-3-ylmethoxy)-1-(1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 2-(piperidin-3-ylmethoxy)-1-(1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 2-(piperidin-3-ylmethoxy)-1-(1,3-thiazol-2-yl)ethanone is O=C(COCC1CCCNC1)c1nccs1.
What is the InChIKey of 2-(piperidin-3-ylmethoxy)-1-(1,3-thiazol-2-yl)ethanone?
The InChIKey is LXCYWKCIFIVPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c14-10(11-13-4-5-16-11)8-15-7-9-2-1-3-12-6-9/h4-5,9,12H,1-3,6-8H2.
What are the key properties of 2-(piperidin-3-ylmethoxy)-1-(1,3-thiazol-2-yl)ethanone?
2-(piperidin-3-ylmethoxy)-1-(1,3-thiazol-2-yl)ethanone has a molecular weight of 240.33 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-3-ylmethoxy)-1-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 71645242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).