3-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]-1-piperidin-1-ylpropan-1-one

C14H23N3OS — CID 75431807

IUPAC3-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]-1-piperidin-1-ylpropan-1-one
SMILESCN(CCC(=O)N1CCCCC1)CCc1nccs1
InChIInChI=1S/C14H23N3OS/c1-16(10-5-13-15-7-12-19-13)11-6-14(18)17-8-3-2-4-9-17/h7,12H,2-6,8-11H2,1H3
InChIKeyGFLIEBKTYFZKAJ-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.02
Rot. Bonds6

About 3-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]-1-piperidin-1-ylpropan-1-one

3-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]-1-piperidin-1-ylpropan-1-one (PubChem CID 75431807) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 3-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]-1-piperidin-1-ylpropan-1-one
PubChem CID75431807
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name3-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]-1-piperidin-1-ylpropan-1-one
SMILESCN(CCC(=O)N1CCCCC1)CCc1nccs1
InChIInChI=1S/C14H23N3OS/c1-16(10-5-13-15-7-12-19-13)11-6-14(18)17-8-3-2-4-9-17/h7,12H,2-6,8-11H2,1H3
InChIKeyGFLIEBKTYFZKAJ-UHFFFAOYSA-N
XLogP2.02
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]-1-piperidin-1-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

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]-1-piperidin-1-ylpropan-1-one (CID 75431807) is 3-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]-1-piperidin-1-ylpropan-1-one is CN(CCC(=O)N1CCCCC1)CCc1nccs1.
What is the InChIKey of 3-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is GFLIEBKTYFZKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-16(10-5-13-15-7-12-19-13)11-6-14(18)17-8-3-2-4-9-17/h7,12H,2-6,8-11H2,1H3.
What are the key properties of 3-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]-1-piperidin-1-ylpropan-1-one?
3-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 281.42 g/mol, XLogP of 2.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 75431807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).