1-[3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one

C15H25N3OS — CID 71871921

IUPAC1-[3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
SMILESCCC1CN(C(=O)C(C)C)CCC1NCc1cscn1
InChIInChI=1S/C15H25N3OS/c1-4-12-8-18(15(19)11(2)3)6-5-14(12)16-7-13-9-20-10-17-13/h9-12,14,16H,4-8H2,1-3H3
InChIKeyXFCOWRICAXPIIR-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.52
Rot. Bonds5

About 1-[3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one

1-[3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 71871921) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 1-[3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
PubChem CID71871921
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name1-[3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
SMILESCCC1CN(C(=O)C(C)C)CCC1NCc1cscn1
InChIInChI=1S/C15H25N3OS/c1-4-12-8-18(15(19)11(2)3)6-5-14(12)16-7-13-9-20-10-17-13/h9-12,14,16H,4-8H2,1-3H3
InChIKeyXFCOWRICAXPIIR-UHFFFAOYSA-N
XLogP2.52
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]-2-methylpropan-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 1-[3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one (CID 71871921) is 1-[3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one is CCC1CN(C(=O)C(C)C)CCC1NCc1cscn1.
What is the InChIKey of 1-[3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is XFCOWRICAXPIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-4-12-8-18(15(19)11(2)3)6-5-14(12)16-7-13-9-20-10-17-13/h9-12,14,16H,4-8H2,1-3H3.
What are the key properties of 1-[3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one?
1-[3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 295.45 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 71871921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).