3-ethyl-1-(thiophen-3-ylmethyl)piperidin-4-one

C12H17NOS — CID 114509019

IUPAC3-ethyl-1-(thiophen-3-ylmethyl)piperidin-4-one
SMILESCCC1CN(Cc2ccsc2)CCC1=O
InChIInChI=1S/C12H17NOS/c1-2-11-8-13(5-3-12(11)14)7-10-4-6-15-9-10/h4,6,9,11H,2-3,5,7-8H2,1H3
InChIKeyGJUAKVMUMXDAGF-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.55
Rot. Bonds3

About 3-ethyl-1-(thiophen-3-ylmethyl)piperidin-4-one

3-ethyl-1-(thiophen-3-ylmethyl)piperidin-4-one (PubChem CID 114509019) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 3-ethyl-1-(thiophen-3-ylmethyl)piperidin-4-one.

Molecular Properties

Compound Name3-ethyl-1-(thiophen-3-ylmethyl)piperidin-4-one
PubChem CID114509019
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name3-ethyl-1-(thiophen-3-ylmethyl)piperidin-4-one
SMILESCCC1CN(Cc2ccsc2)CCC1=O
InChIInChI=1S/C12H17NOS/c1-2-11-8-13(5-3-12(11)14)7-10-4-6-15-9-10/h4,6,9,11H,2-3,5,7-8H2,1H3
InChIKeyGJUAKVMUMXDAGF-UHFFFAOYSA-N
XLogP2.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-bromophenyl)methyl]-3-ethylpiperidin-4-one
CID 114508762
1-[(5-chlorothiophen-2-yl)methyl]-3-ethylpiperidin-4-one
CID 114508711
N-ethyl-1-(thiophen-3-ylmethyl)pyrrolidine-3-sulfonamide
CID 75518432
3-bromo-1-(thiophen-3-ylmethyl)pyrrolidine
CID 80675822
1-(thiophen-3-ylmethyl)pyrrolidin-3-ol
CID 62916311
1-(thiophen-3-ylmethyl)azetidine
CID 131087701
(7S,9aR)-7,8-dimethyl-2-(thiophen-3-ylmethyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 56857653
3-ethyl-1-(thiophen-3-ylmethyl)-3,6-dihydro-2H-pyridine
CID 146661334
[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]methanamine
CID 62068989
[(3R)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]methanol
CID 129367813
1-[(4-chloro-2-fluorophenyl)methyl]-3-ethylpiperidin-4-one
CID 114849233
3-ethyl-1-(2-hydroxyethyl)piperidin-4-one
CID 114508617

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(thiophen-3-ylmethyl)piperidin-4-one?
The IUPAC name of 3-ethyl-1-(thiophen-3-ylmethyl)piperidin-4-one (CID 114509019) is 3-ethyl-1-(thiophen-3-ylmethyl)piperidin-4-one.
What is the SMILES notation for 3-ethyl-1-(thiophen-3-ylmethyl)piperidin-4-one?
The canonical SMILES for 3-ethyl-1-(thiophen-3-ylmethyl)piperidin-4-one is CCC1CN(Cc2ccsc2)CCC1=O.
What is the InChIKey of 3-ethyl-1-(thiophen-3-ylmethyl)piperidin-4-one?
The InChIKey is GJUAKVMUMXDAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-2-11-8-13(5-3-12(11)14)7-10-4-6-15-9-10/h4,6,9,11H,2-3,5,7-8H2,1H3.
What are the key properties of 3-ethyl-1-(thiophen-3-ylmethyl)piperidin-4-one?
3-ethyl-1-(thiophen-3-ylmethyl)piperidin-4-one has a molecular weight of 223.34 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(thiophen-3-ylmethyl)piperidin-4-one is sourced from PubChem (CID 114509019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).