3-piperidin-4-yl-N-(1,3-thiazol-2-ylmethyl)propanamide

C12H19N3OS — CID 55047879

IUPAC3-piperidin-4-yl-N-(1,3-thiazol-2-ylmethyl)propanamide
SMILESO=C(CCC1CCNCC1)NCc1nccs1
InChIInChI=1S/C12H19N3OS/c16-11(15-9-12-14-7-8-17-12)2-1-10-3-5-13-6-4-10/h7-8,10,13H,1-6,9H2,(H,15,16)
InChIKeyWEBUYQSIQKFJME-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.54
Rot. Bonds5

About 3-piperidin-4-yl-N-(1,3-thiazol-2-ylmethyl)propanamide

3-piperidin-4-yl-N-(1,3-thiazol-2-ylmethyl)propanamide (PubChem CID 55047879) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 3-piperidin-4-yl-N-(1,3-thiazol-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-piperidin-4-yl-N-(1,3-thiazol-2-ylmethyl)propanamide
PubChem CID55047879
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name3-piperidin-4-yl-N-(1,3-thiazol-2-ylmethyl)propanamide
SMILESO=C(CCC1CCNCC1)NCc1nccs1
InChIInChI=1S/C12H19N3OS/c16-11(15-9-12-14-7-8-17-12)2-1-10-3-5-13-6-4-10/h7-8,10,13H,1-6,9H2,(H,15,16)
InChIKeyWEBUYQSIQKFJME-UHFFFAOYSA-N
XLogP1.54
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-piperidin-4-yl-N-(1,3-thiazol-2-ylmethyl)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-N-(1,3-thiazol-2-ylmethyl)propanamide?
The IUPAC name of 3-piperidin-4-yl-N-(1,3-thiazol-2-ylmethyl)propanamide (CID 55047879) is 3-piperidin-4-yl-N-(1,3-thiazol-2-ylmethyl)propanamide.
What is the SMILES notation for 3-piperidin-4-yl-N-(1,3-thiazol-2-ylmethyl)propanamide?
The canonical SMILES for 3-piperidin-4-yl-N-(1,3-thiazol-2-ylmethyl)propanamide is O=C(CCC1CCNCC1)NCc1nccs1.
What is the InChIKey of 3-piperidin-4-yl-N-(1,3-thiazol-2-ylmethyl)propanamide?
The InChIKey is WEBUYQSIQKFJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c16-11(15-9-12-14-7-8-17-12)2-1-10-3-5-13-6-4-10/h7-8,10,13H,1-6,9H2,(H,15,16).
What are the key properties of 3-piperidin-4-yl-N-(1,3-thiazol-2-ylmethyl)propanamide?
3-piperidin-4-yl-N-(1,3-thiazol-2-ylmethyl)propanamide has a molecular weight of 253.37 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-N-(1,3-thiazol-2-ylmethyl)propanamide is sourced from PubChem (CID 55047879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).