2-[1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]cyclohexan-1-one

C15H22N2OS — CID 79553267

IUPAC2-[1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCCN1Cc1cscn1
InChIInChI=1S/C15H22N2OS/c18-15-7-2-1-5-13(15)14-6-3-4-8-17(14)9-12-10-19-11-16-12/h10-11,13-14H,1-9H2
InChIKeyTYAFEYUDRFHIKC-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.26
Rot. Bonds3

About 2-[1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]cyclohexan-1-one

2-[1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]cyclohexan-1-one (PubChem CID 79553267) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-[1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]cyclohexan-1-one
PubChem CID79553267
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name2-[1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCCN1Cc1cscn1
InChIInChI=1S/C15H22N2OS/c18-15-7-2-1-5-13(15)14-6-3-4-8-17(14)9-12-10-19-11-16-12/h10-11,13-14H,1-9H2
InChIKeyTYAFEYUDRFHIKC-UHFFFAOYSA-N
XLogP3.26
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]cyclohexan-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 2-[1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]cyclohexan-1-one?
The IUPAC name of 2-[1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]cyclohexan-1-one (CID 79553267) is 2-[1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]cyclohexan-1-one?
The canonical SMILES for 2-[1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]cyclohexan-1-one is O=C1CCCCC1C1CCCCN1Cc1cscn1.
What is the InChIKey of 2-[1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]cyclohexan-1-one?
The InChIKey is TYAFEYUDRFHIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c18-15-7-2-1-5-13(15)14-6-3-4-8-17(14)9-12-10-19-11-16-12/h10-11,13-14H,1-9H2.
What are the key properties of 2-[1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]cyclohexan-1-one?
2-[1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]cyclohexan-1-one has a molecular weight of 278.42 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]cyclohexan-1-one is sourced from PubChem (CID 79553267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).