1-piperidin-1-yl-3-thiophen-3-ylpropan-1-one

C12H17NOS — CID 39958563

IUPAC1-piperidin-1-yl-3-thiophen-3-ylpropan-1-one
SMILESO=C(CCc1ccsc1)N1CCCCC1
InChIInChI=1S/C12H17NOS/c14-12(13-7-2-1-3-8-13)5-4-11-6-9-15-10-11/h6,9-10H,1-5,7-8H2
InChIKeyBUSUQAQCUGJIOR-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.69
Rot. Bonds3

About 1-piperidin-1-yl-3-thiophen-3-ylpropan-1-one

1-piperidin-1-yl-3-thiophen-3-ylpropan-1-one (PubChem CID 39958563) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 1-piperidin-1-yl-3-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name1-piperidin-1-yl-3-thiophen-3-ylpropan-1-one
PubChem CID39958563
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name1-piperidin-1-yl-3-thiophen-3-ylpropan-1-one
SMILESO=C(CCc1ccsc1)N1CCCCC1
InChIInChI=1S/C12H17NOS/c14-12(13-7-2-1-3-8-13)5-4-11-6-9-15-10-11/h6,9-10H,1-5,7-8H2
InChIKeyBUSUQAQCUGJIOR-UHFFFAOYSA-N
XLogP2.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-3-thiophen-3-ylpropan-1-one?
The IUPAC name of 1-piperidin-1-yl-3-thiophen-3-ylpropan-1-one (CID 39958563) is 1-piperidin-1-yl-3-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 1-piperidin-1-yl-3-thiophen-3-ylpropan-1-one?
The canonical SMILES for 1-piperidin-1-yl-3-thiophen-3-ylpropan-1-one is O=C(CCc1ccsc1)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-3-thiophen-3-ylpropan-1-one?
The InChIKey is BUSUQAQCUGJIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c14-12(13-7-2-1-3-8-13)5-4-11-6-9-15-10-11/h6,9-10H,1-5,7-8H2.
What are the key properties of 1-piperidin-1-yl-3-thiophen-3-ylpropan-1-one?
1-piperidin-1-yl-3-thiophen-3-ylpropan-1-one has a molecular weight of 223.34 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-3-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 39958563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).