1-(3-ethylpiperidin-3-yl)-2-thiophen-3-ylethanone

C13H19NOS — CID 116568659

IUPAC1-(3-ethylpiperidin-3-yl)-2-thiophen-3-ylethanone
SMILESCCC1(C(=O)Cc2ccsc2)CCCNC1
InChIInChI=1S/C13H19NOS/c1-2-13(5-3-6-14-10-13)12(15)8-11-4-7-16-9-11/h4,7,9,14H,2-3,5-6,8,10H2,1H3
InChIKeyDTUWJVNFZZOFCE-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.64
Rot. Bonds4

About 1-(3-ethylpiperidin-3-yl)-2-thiophen-3-ylethanone

1-(3-ethylpiperidin-3-yl)-2-thiophen-3-ylethanone (PubChem CID 116568659) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 1-(3-ethylpiperidin-3-yl)-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-(3-ethylpiperidin-3-yl)-2-thiophen-3-ylethanone
PubChem CID116568659
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name1-(3-ethylpiperidin-3-yl)-2-thiophen-3-ylethanone
SMILESCCC1(C(=O)Cc2ccsc2)CCCNC1
InChIInChI=1S/C13H19NOS/c1-2-13(5-3-6-14-10-13)12(15)8-11-4-7-16-9-11/h4,7,9,14H,2-3,5-6,8,10H2,1H3
InChIKeyDTUWJVNFZZOFCE-UHFFFAOYSA-N
XLogP2.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethylpyrrolidin-3-yl)-2-thiophen-3-ylethanone
CID 116570374
1-(3-methylpiperidin-3-yl)-2-thiophen-3-ylethanone
CID 116569506
2-(3-bromothiophen-2-yl)-1-(3-ethylpiperidin-3-yl)ethanone
CID 116568661
2-(3-bromo-4-fluorophenyl)-1-(3-ethylpiperidin-3-yl)ethanone
CID 116568586
3-ethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrrolidine-3-carboxamide
CID 55165732
2-(1,3-benzothiazol-2-yl)-1-(3-ethylpiperidin-3-yl)ethanone
CID 116568641
2-(5-bromo-2-pyridinyl)-1-(3-ethylpiperidin-3-yl)ethanone
CID 116568711
2-(2-chloro-6-fluorophenyl)-1-(3-ethylpiperidin-3-yl)ethanone
CID 116568506
(1-ethylcyclopentyl)-thiophen-3-ylmethanone
CID 114975197
1-(3-methylpyrrolidin-3-yl)-3-thiophen-3-ylpropan-1-one
CID 116570036
N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine
CID 55167019
1-(1-methylcyclopentyl)-3-thiophen-3-ylpropan-1-one
CID 114972116

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpiperidin-3-yl)-2-thiophen-3-ylethanone?
The IUPAC name of 1-(3-ethylpiperidin-3-yl)-2-thiophen-3-ylethanone (CID 116568659) is 1-(3-ethylpiperidin-3-yl)-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-(3-ethylpiperidin-3-yl)-2-thiophen-3-ylethanone?
The canonical SMILES for 1-(3-ethylpiperidin-3-yl)-2-thiophen-3-ylethanone is CCC1(C(=O)Cc2ccsc2)CCCNC1.
What is the InChIKey of 1-(3-ethylpiperidin-3-yl)-2-thiophen-3-ylethanone?
The InChIKey is DTUWJVNFZZOFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-2-13(5-3-6-14-10-13)12(15)8-11-4-7-16-9-11/h4,7,9,14H,2-3,5-6,8,10H2,1H3.
What are the key properties of 1-(3-ethylpiperidin-3-yl)-2-thiophen-3-ylethanone?
1-(3-ethylpiperidin-3-yl)-2-thiophen-3-ylethanone has a molecular weight of 237.37 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpiperidin-3-yl)-2-thiophen-3-ylethanone is sourced from PubChem (CID 116568659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).