1-(4-hydroxypiperidin-1-yl)-3-thiophen-2-ylpropan-1-one

C12H17NO2S — CID 43416005

IUPAC1-(4-hydroxypiperidin-1-yl)-3-thiophen-2-ylpropan-1-one
SMILESO=C(CCc1cccs1)N1CCC(O)CC1
InChIInChI=1S/C12H17NO2S/c14-10-5-7-13(8-6-10)12(15)4-3-11-2-1-9-16-11/h1-2,9-10,14H,3-8H2
InChIKeyNLDCKOZOCHZCCW-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.66
Rot. Bonds3

About 1-(4-hydroxypiperidin-1-yl)-3-thiophen-2-ylpropan-1-one

1-(4-hydroxypiperidin-1-yl)-3-thiophen-2-ylpropan-1-one (PubChem CID 43416005) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-(4-hydroxypiperidin-1-yl)-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-hydroxypiperidin-1-yl)-3-thiophen-2-ylpropan-1-one
PubChem CID43416005
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name1-(4-hydroxypiperidin-1-yl)-3-thiophen-2-ylpropan-1-one
SMILESO=C(CCc1cccs1)N1CCC(O)CC1
InChIInChI=1S/C12H17NO2S/c14-10-5-7-13(8-6-10)12(15)4-3-11-2-1-9-16-11/h1-2,9-10,14H,3-8H2
InChIKeyNLDCKOZOCHZCCW-UHFFFAOYSA-N
XLogP1.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-hydroxypiperidin-1-yl)-3-thiophen-2-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-pyrrol-1-ylpiperidin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 110721301
1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 95758954
1-[(3R)-3-aminopyrrolidin-1-yl]-3-thiophen-2-ylpropan-1-one;hydrochloride
CID 119410848
1-cyclopentyl-3-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]urea
CID 110822094
1-[(4S)-4-(dimethylamino)azepan-1-yl]-3-thiophen-2-ylpropan-1-one
CID 95726421
N-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 110822079
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-thiophen-2-ylpropan-1-one
CID 119636693
N-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110822076
3-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 110710696
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-thiophen-2-ylpropan-1-one;hydrochloride
CID 119636692
1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110868327
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 119662769

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxypiperidin-1-yl)-3-thiophen-2-ylpropan-1-one?
The IUPAC name of 1-(4-hydroxypiperidin-1-yl)-3-thiophen-2-ylpropan-1-one (CID 43416005) is 1-(4-hydroxypiperidin-1-yl)-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 1-(4-hydroxypiperidin-1-yl)-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for 1-(4-hydroxypiperidin-1-yl)-3-thiophen-2-ylpropan-1-one is O=C(CCc1cccs1)N1CCC(O)CC1.
What is the InChIKey of 1-(4-hydroxypiperidin-1-yl)-3-thiophen-2-ylpropan-1-one?
The InChIKey is NLDCKOZOCHZCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c14-10-5-7-13(8-6-10)12(15)4-3-11-2-1-9-16-11/h1-2,9-10,14H,3-8H2.
What are the key properties of 1-(4-hydroxypiperidin-1-yl)-3-thiophen-2-ylpropan-1-one?
1-(4-hydroxypiperidin-1-yl)-3-thiophen-2-ylpropan-1-one has a molecular weight of 239.34 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxypiperidin-1-yl)-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 43416005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).