piperazin-1-yl-[1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidin-3-yl]methanone

C15H21F3N4OS — CID 120836033

IUPACpiperazin-1-yl-[1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidin-3-yl]methanone
SMILESO=C(C1CCCN(Cc2ncc(C(F)(F)F)s2)C1)N1CCNCC1
InChIInChI=1S/C15H21F3N4OS/c16-15(17,18)12-8-20-13(24-12)10-21-5-1-2-11(9-21)14(23)22-6-3-19-4-7-22/h8,11,19H,1-7,9-10H2
InChIKeyMDMPJANKSIMDQD-UHFFFAOYSA-N
MW362.42 g/mol
LogP1.81
Rot. Bonds3

About piperazin-1-yl-[1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidin-3-yl]methanone

piperazin-1-yl-[1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidin-3-yl]methanone (PubChem CID 120836033) has the molecular formula C15H21F3N4OS and a molecular weight of 362.42 g/mol. Its IUPAC name is piperazin-1-yl-[1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Namepiperazin-1-yl-[1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidin-3-yl]methanone
PubChem CID120836033
Molecular FormulaC15H21F3N4OS
Molecular Weight362.42 g/mol
Exact Mass362.14
IUPAC Namepiperazin-1-yl-[1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidin-3-yl]methanone
SMILESO=C(C1CCCN(Cc2ncc(C(F)(F)F)s2)C1)N1CCNCC1
InChIInChI=1S/C15H21F3N4OS/c16-15(17,18)12-8-20-13(24-12)10-21-5-1-2-11(9-21)14(23)22-6-3-19-4-7-22/h8,11,19H,1-7,9-10H2
InChIKeyMDMPJANKSIMDQD-UHFFFAOYSA-N
XLogP1.81
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl-[1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidin-3-yl]methanone?
The IUPAC name of piperazin-1-yl-[1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidin-3-yl]methanone (CID 120836033) is piperazin-1-yl-[1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidin-3-yl]methanone.
What is the SMILES notation for piperazin-1-yl-[1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidin-3-yl]methanone?
The canonical SMILES for piperazin-1-yl-[1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidin-3-yl]methanone is O=C(C1CCCN(Cc2ncc(C(F)(F)F)s2)C1)N1CCNCC1.
What is the InChIKey of piperazin-1-yl-[1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidin-3-yl]methanone?
The InChIKey is MDMPJANKSIMDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4OS/c16-15(17,18)12-8-20-13(24-12)10-21-5-1-2-11(9-21)14(23)22-6-3-19-4-7-22/h8,11,19H,1-7,9-10H2.
What are the key properties of piperazin-1-yl-[1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidin-3-yl]methanone?
piperazin-1-yl-[1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidin-3-yl]methanone has a molecular weight of 362.42 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl-[1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 120836033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).