1-piperidin-4-yl-3-thiophen-3-ylpropan-2-one

C12H17NOS — CID 116559976

IUPAC1-piperidin-4-yl-3-thiophen-3-ylpropan-2-one
SMILESO=C(Cc1ccsc1)CC1CCNCC1
InChIInChI=1S/C12H17NOS/c14-12(8-11-3-6-15-9-11)7-10-1-4-13-5-2-10/h3,6,9-10,13H,1-2,4-5,7-8H2
InChIKeySLYCBPVOERJFRL-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.25
Rot. Bonds4

About 1-piperidin-4-yl-3-thiophen-3-ylpropan-2-one

1-piperidin-4-yl-3-thiophen-3-ylpropan-2-one (PubChem CID 116559976) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 1-piperidin-4-yl-3-thiophen-3-ylpropan-2-one.

Molecular Properties

Compound Name1-piperidin-4-yl-3-thiophen-3-ylpropan-2-one
PubChem CID116559976
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name1-piperidin-4-yl-3-thiophen-3-ylpropan-2-one
SMILESO=C(Cc1ccsc1)CC1CCNCC1
InChIInChI=1S/C12H17NOS/c14-12(8-11-3-6-15-9-11)7-10-1-4-13-5-2-10/h3,6,9-10,13H,1-2,4-5,7-8H2
InChIKeySLYCBPVOERJFRL-UHFFFAOYSA-N
XLogP2.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azetidin-3-yl)-3-thiophen-3-ylpropan-2-one
CID 116582371
N-(pyrrolidin-3-ylmethyl)-2-thiophen-3-ylacetamide
CID 71644965
1-piperazin-1-yl-3-thiophen-3-ylpropan-2-one
CID 116559574
N-methyl-N-piperidin-4-yl-2-thiophen-3-ylacetamide;hydrochloride
CID 71641436
4-cyclopentyl-1-thiophen-3-ylbutan-2-one
CID 61055455
N-piperidin-4-yl-N-propyl-2-thiophen-3-ylacetamide
CID 60806077
3-(thiophen-3-ylmethyl)pyrrolidine
CID 83682618
N-cyclopropyl-3-piperidin-4-yl-N-(thiophen-3-ylmethyl)propanamide
CID 62210423
1-(5-ethylthiophen-2-yl)-3-piperidin-4-ylpropan-2-one
CID 116560034
1-(thian-4-yl)-4-thiophen-3-ylbutan-2-one
CID 105099932
N-methyl-N-[(3S)-pyrrolidin-3-yl]-2-thiophen-3-ylacetamide
CID 71641161
N-piperidin-4-yl-3-thiophen-3-ylpropanamide;hydrochloride
CID 119385872

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-3-thiophen-3-ylpropan-2-one?
The IUPAC name of 1-piperidin-4-yl-3-thiophen-3-ylpropan-2-one (CID 116559976) is 1-piperidin-4-yl-3-thiophen-3-ylpropan-2-one.
What is the SMILES notation for 1-piperidin-4-yl-3-thiophen-3-ylpropan-2-one?
The canonical SMILES for 1-piperidin-4-yl-3-thiophen-3-ylpropan-2-one is O=C(Cc1ccsc1)CC1CCNCC1.
What is the InChIKey of 1-piperidin-4-yl-3-thiophen-3-ylpropan-2-one?
The InChIKey is SLYCBPVOERJFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c14-12(8-11-3-6-15-9-11)7-10-1-4-13-5-2-10/h3,6,9-10,13H,1-2,4-5,7-8H2.
What are the key properties of 1-piperidin-4-yl-3-thiophen-3-ylpropan-2-one?
1-piperidin-4-yl-3-thiophen-3-ylpropan-2-one has a molecular weight of 223.34 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-3-thiophen-3-ylpropan-2-one is sourced from PubChem (CID 116559976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).