2-(2-piperidin-3-ylethoxy)-1-thiophen-2-ylethanone;hydrochloride

C13H20ClNO2S — CID 71645283

IUPAC2-(2-piperidin-3-ylethoxy)-1-thiophen-2-ylethanone;hydrochloride
SMILESCl.O=C(COCCC1CCCNC1)c1cccs1
InChIInChI=1S/C13H19NO2S.ClH/c15-12(13-4-2-8-17-13)10-16-7-5-11-3-1-6-14-9-11;/h2,4,8,11,14H,1,3,5-7,9-10H2;1H
InChIKeyZHQUOWAHTIJMBK-UHFFFAOYSA-N
MW289.83 g/mol
LogP2.76
Rot. Bonds6

About 2-(2-piperidin-3-ylethoxy)-1-thiophen-2-ylethanone;hydrochloride

2-(2-piperidin-3-ylethoxy)-1-thiophen-2-ylethanone;hydrochloride (PubChem CID 71645283) has the molecular formula C13H20ClNO2S and a molecular weight of 289.83 g/mol. Its IUPAC name is 2-(2-piperidin-3-ylethoxy)-1-thiophen-2-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-(2-piperidin-3-ylethoxy)-1-thiophen-2-ylethanone;hydrochloride
PubChem CID71645283
Molecular FormulaC13H20ClNO2S
Molecular Weight289.83 g/mol
Exact Mass289.09
IUPAC Name2-(2-piperidin-3-ylethoxy)-1-thiophen-2-ylethanone;hydrochloride
SMILESCl.O=C(COCCC1CCCNC1)c1cccs1
InChIInChI=1S/C13H19NO2S.ClH/c15-12(13-4-2-8-17-13)10-16-7-5-11-3-1-6-14-9-11;/h2,4,8,11,14H,1,3,5-7,9-10H2;1H
InChIKeyZHQUOWAHTIJMBK-UHFFFAOYSA-N
XLogP2.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.83
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-phenyl-2-(2-piperidin-3-ylethoxy)acetamide
CID 62357691
N-methyl-N-(piperidin-3-ylmethyl)thiophene-2-carboxamide;hydrochloride
CID 71642081
2-(3-piperidin-3-ylpropoxy)-1-pyridin-2-ylethanone;hydrochloride
CID 71645321
N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)butan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119558012
3-[2-(2-chloroprop-2-enoxy)ethyl]piperidine
CID 62356668
2-[[(2R)-piperidin-2-yl]methoxy]-1-thiophen-2-ylethanone
CID 97165716
2-[methyl-[(3S)-piperidin-3-yl]amino]-1-thiophen-2-ylethanone
CID 71641577
N-methyl-N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]thiophene-2-carboxamide
CID 119557038
2-(azetidin-3-yl)-1-thiophen-2-ylethanone
CID 116582435
N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide
CID 63622870
(3S)-3-(2-phenylmethoxyethyl)piperidine
CID 26192382
N-[1-oxo-3-phenyl-1-(2-piperidin-3-ylethylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119558045

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-3-ylethoxy)-1-thiophen-2-ylethanone;hydrochloride?
The IUPAC name of 2-(2-piperidin-3-ylethoxy)-1-thiophen-2-ylethanone;hydrochloride (CID 71645283) is 2-(2-piperidin-3-ylethoxy)-1-thiophen-2-ylethanone;hydrochloride.
What is the SMILES notation for 2-(2-piperidin-3-ylethoxy)-1-thiophen-2-ylethanone;hydrochloride?
The canonical SMILES for 2-(2-piperidin-3-ylethoxy)-1-thiophen-2-ylethanone;hydrochloride is Cl.O=C(COCCC1CCCNC1)c1cccs1.
What is the InChIKey of 2-(2-piperidin-3-ylethoxy)-1-thiophen-2-ylethanone;hydrochloride?
The InChIKey is ZHQUOWAHTIJMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S.ClH/c15-12(13-4-2-8-17-13)10-16-7-5-11-3-1-6-14-9-11;/h2,4,8,11,14H,1,3,5-7,9-10H2;1H.
What are the key properties of 2-(2-piperidin-3-ylethoxy)-1-thiophen-2-ylethanone;hydrochloride?
2-(2-piperidin-3-ylethoxy)-1-thiophen-2-ylethanone;hydrochloride has a molecular weight of 289.83 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-3-ylethoxy)-1-thiophen-2-ylethanone;hydrochloride is sourced from PubChem (CID 71645283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).