3-(1-methylpiperazin-2-yl)-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,2,4-oxadiazole

C14H22F3N5O — CID 120960065

IUPAC3-(1-methylpiperazin-2-yl)-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,2,4-oxadiazole
SMILESCN1CCNCC1c1noc(C2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C14H22F3N5O/c1-21-7-4-18-8-11(21)12-19-13(23-20-12)10-2-5-22(6-3-10)9-14(15,16)17/h10-11,18H,2-9H2,1H3
InChIKeyFGTRDWRNVGXENU-UHFFFAOYSA-N
MW333.36 g/mol
LogP1.39
Rot. Bonds3

About 3-(1-methylpiperazin-2-yl)-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,2,4-oxadiazole

3-(1-methylpiperazin-2-yl)-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,2,4-oxadiazole (PubChem CID 120960065) has the molecular formula C14H22F3N5O and a molecular weight of 333.36 g/mol. Its IUPAC name is 3-(1-methylpiperazin-2-yl)-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methylpiperazin-2-yl)-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,2,4-oxadiazole
PubChem CID120960065
Molecular FormulaC14H22F3N5O
Molecular Weight333.36 g/mol
Exact Mass333.18
IUPAC Name3-(1-methylpiperazin-2-yl)-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,2,4-oxadiazole
SMILESCN1CCNCC1c1noc(C2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C14H22F3N5O/c1-21-7-4-18-8-11(21)12-19-13(23-20-12)10-2-5-22(6-3-10)9-14(15,16)17/h10-11,18H,2-9H2,1H3
InChIKeyFGTRDWRNVGXENU-UHFFFAOYSA-N
XLogP1.39
TPSA57.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide
CID 120957246
3-(1-methylpiperazin-2-yl)-5-(thiolan-2-yl)-1,2,4-oxadiazole
CID 120958493
4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide
CID 120958246
3-(1-methylpiperazin-2-yl)-5-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120957013
3-(1-methylpiperazin-2-yl)-5-(1,1,2,2-tetrafluoroethyl)-1,2,4-oxadiazole
CID 120956490
3-(1-methylpiperazin-2-yl)-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride
CID 120957247
(4-fluorophenyl)-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 120960207
3-(1-methylpiperazin-2-yl)-5-(2-phenyloxan-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120958632
5-(1-methylpyrrolidin-2-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115077864
1-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one
CID 120960373
3-(1-methylpiperazin-2-yl)-5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazole;hydrochloride
CID 120960436
1-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 120956441

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperazin-2-yl)-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methylpiperazin-2-yl)-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,2,4-oxadiazole (CID 120960065) is 3-(1-methylpiperazin-2-yl)-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methylpiperazin-2-yl)-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methylpiperazin-2-yl)-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,2,4-oxadiazole is CN1CCNCC1c1noc(C2CCN(CC(F)(F)F)CC2)n1.
What is the InChIKey of 3-(1-methylpiperazin-2-yl)-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,2,4-oxadiazole?
The InChIKey is FGTRDWRNVGXENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N5O/c1-21-7-4-18-8-11(21)12-19-13(23-20-12)10-2-5-22(6-3-10)9-14(15,16)17/h10-11,18H,2-9H2,1H3.
What are the key properties of 3-(1-methylpiperazin-2-yl)-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,2,4-oxadiazole?
3-(1-methylpiperazin-2-yl)-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,2,4-oxadiazole has a molecular weight of 333.36 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperazin-2-yl)-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 120960065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).