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

C12H19N3OS — CID 74248707

IUPAC1-[2-[methyl(1,3-thiazol-2-ylmethyl)amino]ethyl]piperidin-2-one
SMILESCN(CCN1CCCCC1=O)Cc1nccs1
InChIInChI=1S/C12H19N3OS/c1-14(10-11-13-5-9-17-11)7-8-15-6-3-2-4-12(15)16/h5,9H,2-4,6-8,10H2,1H3
InChIKeyLYCNJKGVPHDZFD-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.59
Rot. Bonds5

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

1-[2-[methyl(1,3-thiazol-2-ylmethyl)amino]ethyl]piperidin-2-one (PubChem CID 74248707) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-[2-[methyl(1,3-thiazol-2-ylmethyl)amino]ethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-[methyl(1,3-thiazol-2-ylmethyl)amino]ethyl]piperidin-2-one
PubChem CID74248707
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name1-[2-[methyl(1,3-thiazol-2-ylmethyl)amino]ethyl]piperidin-2-one
SMILESCN(CCN1CCCCC1=O)Cc1nccs1
InChIInChI=1S/C12H19N3OS/c1-14(10-11-13-5-9-17-11)7-8-15-6-3-2-4-12(15)16/h5,9H,2-4,6-8,10H2,1H3
InChIKeyLYCNJKGVPHDZFD-UHFFFAOYSA-N
XLogP1.59
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-[methyl(1,3-thiazol-2-ylmethyl)amino]ethyl]piperidin-2-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 1-[2-[methyl(1,3-thiazol-2-ylmethyl)amino]ethyl]piperidin-2-one?
The IUPAC name of 1-[2-[methyl(1,3-thiazol-2-ylmethyl)amino]ethyl]piperidin-2-one (CID 74248707) is 1-[2-[methyl(1,3-thiazol-2-ylmethyl)amino]ethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-[methyl(1,3-thiazol-2-ylmethyl)amino]ethyl]piperidin-2-one?
The canonical SMILES for 1-[2-[methyl(1,3-thiazol-2-ylmethyl)amino]ethyl]piperidin-2-one is CN(CCN1CCCCC1=O)Cc1nccs1.
What is the InChIKey of 1-[2-[methyl(1,3-thiazol-2-ylmethyl)amino]ethyl]piperidin-2-one?
The InChIKey is LYCNJKGVPHDZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-14(10-11-13-5-9-17-11)7-8-15-6-3-2-4-12(15)16/h5,9H,2-4,6-8,10H2,1H3.
What are the key properties of 1-[2-[methyl(1,3-thiazol-2-ylmethyl)amino]ethyl]piperidin-2-one?
1-[2-[methyl(1,3-thiazol-2-ylmethyl)amino]ethyl]piperidin-2-one has a molecular weight of 253.37 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl(1,3-thiazol-2-ylmethyl)amino]ethyl]piperidin-2-one is sourced from PubChem (CID 74248707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).