1-[3-(3-methoxypropyl)piperidin-1-yl]-2-thiophen-3-ylethanone

C15H23NO2S — CID 70788695

IUPAC1-[3-(3-methoxypropyl)piperidin-1-yl]-2-thiophen-3-ylethanone
SMILESCOCCCC1CCCN(C(=O)Cc2ccsc2)C1
InChIInChI=1S/C15H23NO2S/c1-18-8-3-5-13-4-2-7-16(11-13)15(17)10-14-6-9-19-12-14/h6,9,12-13H,2-5,7-8,10-11H2,1H3
InChIKeyGSBOERXKOCJRMO-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.96
Rot. Bonds6

About 1-[3-(3-methoxypropyl)piperidin-1-yl]-2-thiophen-3-ylethanone

1-[3-(3-methoxypropyl)piperidin-1-yl]-2-thiophen-3-ylethanone (PubChem CID 70788695) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-[3-(3-methoxypropyl)piperidin-1-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[3-(3-methoxypropyl)piperidin-1-yl]-2-thiophen-3-ylethanone
PubChem CID70788695
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name1-[3-(3-methoxypropyl)piperidin-1-yl]-2-thiophen-3-ylethanone
SMILESCOCCCC1CCCN(C(=O)Cc2ccsc2)C1
InChIInChI=1S/C15H23NO2S/c1-18-8-3-5-13-4-2-7-16(11-13)15(17)10-14-6-9-19-12-14/h6,9,12-13H,2-5,7-8,10-11H2,1H3
InChIKeyGSBOERXKOCJRMO-UHFFFAOYSA-N
XLogP2.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(methylaminomethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 61205444
1-[(3R)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 29181741
1-[(3S)-3-hydroxypiperidin-1-yl]-2-thiophen-3-ylethanone
CID 71649381
1-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 96577310
1-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 94407469
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 62349580
(3R)-1-(2-thiophen-3-ylacetyl)piperidine-3-carboxamide
CID 94164984
N'-hydroxy-1-(2-thiophen-3-ylacetyl)piperidine-3-carboximidamide
CID 77041855
1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 124995445
1-(azocan-1-yl)-2-thiophen-3-ylethanone
CID 112769654
3-(2,4-difluorophenyl)-1-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]propan-1-one
CID 97136529
1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 90504984

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methoxypropyl)piperidin-1-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[3-(3-methoxypropyl)piperidin-1-yl]-2-thiophen-3-ylethanone (CID 70788695) is 1-[3-(3-methoxypropyl)piperidin-1-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[3-(3-methoxypropyl)piperidin-1-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[3-(3-methoxypropyl)piperidin-1-yl]-2-thiophen-3-ylethanone is COCCCC1CCCN(C(=O)Cc2ccsc2)C1.
What is the InChIKey of 1-[3-(3-methoxypropyl)piperidin-1-yl]-2-thiophen-3-ylethanone?
The InChIKey is GSBOERXKOCJRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-18-8-3-5-13-4-2-7-16(11-13)15(17)10-14-6-9-19-12-14/h6,9,12-13H,2-5,7-8,10-11H2,1H3.
What are the key properties of 1-[3-(3-methoxypropyl)piperidin-1-yl]-2-thiophen-3-ylethanone?
1-[3-(3-methoxypropyl)piperidin-1-yl]-2-thiophen-3-ylethanone has a molecular weight of 281.42 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methoxypropyl)piperidin-1-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 70788695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).