2-[[(2R)-piperidin-2-yl]methoxy]-1-thiophen-2-ylethanone

C12H17NO2S — CID 97165716

IUPAC2-[[(2R)-piperidin-2-yl]methoxy]-1-thiophen-2-ylethanone
SMILESO=C(COC[C@H]1CCCCN1)c1cccs1
InChIInChI=1S/C12H17NO2S/c14-11(12-5-3-7-16-12)9-15-8-10-4-1-2-6-13-10/h3,5,7,10,13H,1-2,4,6,8-9H2/t10-/m1/s1
InChIKeyMSVJSPJQKDDQMM-SNVBAGLBSA-N
MW239.34 g/mol
LogP2.09
Rot. Bonds5

About 2-[[(2R)-piperidin-2-yl]methoxy]-1-thiophen-2-ylethanone

2-[[(2R)-piperidin-2-yl]methoxy]-1-thiophen-2-ylethanone (PubChem CID 97165716) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-[[(2R)-piperidin-2-yl]methoxy]-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-[[(2R)-piperidin-2-yl]methoxy]-1-thiophen-2-ylethanone
PubChem CID97165716
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name2-[[(2R)-piperidin-2-yl]methoxy]-1-thiophen-2-ylethanone
SMILESO=C(COC[C@H]1CCCCN1)c1cccs1
InChIInChI=1S/C12H17NO2S/c14-11(12-5-3-7-16-12)9-15-8-10-4-1-2-6-13-10/h3,5,7,10,13H,1-2,4,6,8-9H2/t10-/m1/s1
InChIKeyMSVJSPJQKDDQMM-SNVBAGLBSA-N
XLogP2.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyrrolidin-2-yl-1-thiophen-2-ylethanone
CID 71755530
(2S)-2-(thiophen-2-ylmethoxymethyl)pyrrolidine
CID 102820124
N-(piperidin-2-ylmethyl)-N-propylthiophene-2-carboxamide
CID 106625496
2-(2-piperidin-3-ylethoxy)-1-thiophen-2-ylethanone;hydrochloride
CID 71645283
azepan-2-yl(thiophen-2-yl)methanone
CID 116582716
2-ethoxy-1-thiophen-2-ylethanone
CID 43799570
(2R)-2-(2-thiophen-2-ylethoxymethyl)pyrrolidine
CID 102820127
N-(pyrrolidin-2-ylmethyl)-2-(thiophene-2-carbonyl)benzamide
CID 119513719
(2R)-2-[[(1S)-1-thiophen-2-ylethoxy]methyl]pyrrolidine
CID 97162429
(2S)-2-(thiophen-2-ylmethyl)azepane
CID 94481267
[(2S)-pyrrolidin-2-yl]-thiophen-2-ylmethanone
CID 42076584
N-(cyclopropylmethyl)-2-(piperidin-2-ylmethoxy)acetamide
CID 62339401

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-piperidin-2-yl]methoxy]-1-thiophen-2-ylethanone?
The IUPAC name of 2-[[(2R)-piperidin-2-yl]methoxy]-1-thiophen-2-ylethanone (CID 97165716) is 2-[[(2R)-piperidin-2-yl]methoxy]-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-[[(2R)-piperidin-2-yl]methoxy]-1-thiophen-2-ylethanone?
The canonical SMILES for 2-[[(2R)-piperidin-2-yl]methoxy]-1-thiophen-2-ylethanone is O=C(COC[C@H]1CCCCN1)c1cccs1.
What is the InChIKey of 2-[[(2R)-piperidin-2-yl]methoxy]-1-thiophen-2-ylethanone?
The InChIKey is MSVJSPJQKDDQMM-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17NO2S/c14-11(12-5-3-7-16-12)9-15-8-10-4-1-2-6-13-10/h3,5,7,10,13H,1-2,4,6,8-9H2/t10-/m1/s1.
What are the key properties of 2-[[(2R)-piperidin-2-yl]methoxy]-1-thiophen-2-ylethanone?
2-[[(2R)-piperidin-2-yl]methoxy]-1-thiophen-2-ylethanone has a molecular weight of 239.34 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-piperidin-2-yl]methoxy]-1-thiophen-2-ylethanone is sourced from PubChem (CID 97165716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).