3-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one

C16H23F3N4OS — CID 75469563

IUPAC3-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one
SMILESCc1ncc(CN2CCN(C3CCCN(CC(F)(F)F)C3=O)CC2)s1
InChIInChI=1S/C16H23F3N4OS/c1-12-20-9-13(25-12)10-21-5-7-22(8-6-21)14-3-2-4-23(15(14)24)11-16(17,18)19/h9,14H,2-8,10-11H2,1H3
InChIKeyZBRFUKVTCOHMSW-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.12
Rot. Bonds4

About 3-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one

3-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one (PubChem CID 75469563) has the molecular formula C16H23F3N4OS and a molecular weight of 376.45 g/mol. Its IUPAC name is 3-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one.

Molecular Properties

Compound Name3-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one
PubChem CID75469563
Molecular FormulaC16H23F3N4OS
Molecular Weight376.45 g/mol
Exact Mass376.15
IUPAC Name3-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one
SMILESCc1ncc(CN2CCN(C3CCCN(CC(F)(F)F)C3=O)CC2)s1
InChIInChI=1S/C16H23F3N4OS/c1-12-20-9-13(25-12)10-21-5-7-22(8-6-21)14-3-2-4-23(15(14)24)11-16(17,18)19/h9,14H,2-8,10-11H2,1H3
InChIKeyZBRFUKVTCOHMSW-UHFFFAOYSA-N
XLogP2.12
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1-(2,2,2-trifluoroethyl)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 3-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one?
The IUPAC name of 3-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one (CID 75469563) is 3-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one.
What is the SMILES notation for 3-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one?
The canonical SMILES for 3-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one is Cc1ncc(CN2CCN(C3CCCN(CC(F)(F)F)C3=O)CC2)s1.
What is the InChIKey of 3-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one?
The InChIKey is ZBRFUKVTCOHMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4OS/c1-12-20-9-13(25-12)10-21-5-7-22(8-6-21)14-3-2-4-23(15(14)24)11-16(17,18)19/h9,14H,2-8,10-11H2,1H3.
What are the key properties of 3-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one?
3-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one has a molecular weight of 376.45 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one is sourced from PubChem (CID 75469563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).