1-(2-thiophen-3-ylpiperidin-1-yl)ethanone

C11H15NOS — CID 102544384

IUPAC1-(2-thiophen-3-ylpiperidin-1-yl)ethanone
SMILESCC(=O)N1CCCCC1c1ccsc1
InChIInChI=1S/C11H15NOS/c1-9(13)12-6-3-2-4-11(12)10-5-7-14-8-10/h5,7-8,11H,2-4,6H2,1H3
InChIKeyXQMVRBLZFWYZEH-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.82
Rot. Bonds1

About 1-(2-thiophen-3-ylpiperidin-1-yl)ethanone

1-(2-thiophen-3-ylpiperidin-1-yl)ethanone (PubChem CID 102544384) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 1-(2-thiophen-3-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-thiophen-3-ylpiperidin-1-yl)ethanone
PubChem CID102544384
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name1-(2-thiophen-3-ylpiperidin-1-yl)ethanone
SMILESCC(=O)N1CCCCC1c1ccsc1
InChIInChI=1S/C11H15NOS/c1-9(13)12-6-3-2-4-11(12)10-5-7-14-8-10/h5,7-8,11H,2-4,6H2,1H3
InChIKeyXQMVRBLZFWYZEH-UHFFFAOYSA-N
XLogP2.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94117667
2,2-dimethyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one
CID 64591656
1-[2-(4-methylphenyl)piperidin-1-yl]ethanone
CID 127352065
phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 60770024
piperidin-2-yl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 54871703
cis-(1R,2S)-2-[(2R)-2-thiophen-3-ylpyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 124675357
4-methyl-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]pentan-1-one
CID 51948019
2-(butan-2-ylamino)-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone
CID 54871562
(4-bromophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 42961741
N-[3-oxo-3-(2-thiophen-3-ylpyrrolidin-1-yl)propyl]cyclopentanecarboxamide
CID 47036904
(5S)-5-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]piperidin-2-one
CID 94171138
methyl 5-oxo-5-(2-thiophen-3-ylpyrrolidin-1-yl)pentanoate
CID 86792913

Frequently Asked Questions

What is the IUPAC name of 1-(2-thiophen-3-ylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(2-thiophen-3-ylpiperidin-1-yl)ethanone (CID 102544384) is 1-(2-thiophen-3-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(2-thiophen-3-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(2-thiophen-3-ylpiperidin-1-yl)ethanone is CC(=O)N1CCCCC1c1ccsc1.
What is the InChIKey of 1-(2-thiophen-3-ylpiperidin-1-yl)ethanone?
The InChIKey is XQMVRBLZFWYZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-9(13)12-6-3-2-4-11(12)10-5-7-14-8-10/h5,7-8,11H,2-4,6H2,1H3.
What are the key properties of 1-(2-thiophen-3-ylpiperidin-1-yl)ethanone?
1-(2-thiophen-3-ylpiperidin-1-yl)ethanone has a molecular weight of 209.31 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-thiophen-3-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 102544384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).