cyclohexyl-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone

C21H34N4OS — CID 53158571

IUPACcyclohexyl-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone
SMILESCC1CCN(Cc2csc(N3CCN(C(=O)C4CCCCC4)CC3)n2)CC1
InChIInChI=1S/C21H34N4OS/c1-17-7-9-23(10-8-17)15-19-16-27-21(22-19)25-13-11-24(12-14-25)20(26)18-5-3-2-4-6-18/h16-18H,2-15H2,1H3
InChIKeyWSGYKBPIQNXTIX-UHFFFAOYSA-N
MW390.60 g/mol
LogP3.60
Rot. Bonds4

About cyclohexyl-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone

cyclohexyl-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone (PubChem CID 53158571) has the molecular formula C21H34N4OS and a molecular weight of 390.60 g/mol. Its IUPAC name is cyclohexyl-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone
PubChem CID53158571
Molecular FormulaC21H34N4OS
Molecular Weight390.60 g/mol
Exact Mass390.25
IUPAC Namecyclohexyl-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone
SMILESCC1CCN(Cc2csc(N3CCN(C(=O)C4CCCCC4)CC3)n2)CC1
InChIInChI=1S/C21H34N4OS/c1-17-7-9-23(10-8-17)15-19-16-27-21(22-19)25-13-11-24(12-14-25)20(26)18-5-3-2-4-6-18/h16-18H,2-15H2,1H3
InChIKeyWSGYKBPIQNXTIX-UHFFFAOYSA-N
XLogP3.60
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.60
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone (CID 53158571) is cyclohexyl-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone is CC1CCN(Cc2csc(N3CCN(C(=O)C4CCCCC4)CC3)n2)CC1.
What is the InChIKey of cyclohexyl-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
The InChIKey is WSGYKBPIQNXTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4OS/c1-17-7-9-23(10-8-17)15-19-16-27-21(22-19)25-13-11-24(12-14-25)20(26)18-5-3-2-4-6-18/h16-18H,2-15H2,1H3.
What are the key properties of cyclohexyl-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
cyclohexyl-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone has a molecular weight of 390.60 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 53158571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).