2-(4-fluorophenoxy)-1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]propan-1-one

C19H24FN5O2 — CID 120823602

IUPAC2-(4-fluorophenoxy)-1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]propan-1-one
SMILESCC(Oc1ccc(F)cc1)C(=O)N1CCC(c2nnc3n2CCNC3)CC1
InChIInChI=1S/C19H24FN5O2/c1-13(27-16-4-2-15(20)3-5-16)19(26)24-9-6-14(7-10-24)18-23-22-17-12-21-8-11-25(17)18/h2-5,13-14,21H,6-12H2,1H3
InChIKeyASNXXKBOZFSMIN-UHFFFAOYSA-N
MW373.43 g/mol
LogP1.69
Rot. Bonds4

About 2-(4-fluorophenoxy)-1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]propan-1-one

2-(4-fluorophenoxy)-1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]propan-1-one (PubChem CID 120823602) has the molecular formula C19H24FN5O2 and a molecular weight of 373.43 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]propan-1-one
PubChem CID120823602
Molecular FormulaC19H24FN5O2
Molecular Weight373.43 g/mol
Exact Mass373.19
IUPAC Name2-(4-fluorophenoxy)-1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]propan-1-one
SMILESCC(Oc1ccc(F)cc1)C(=O)N1CCC(c2nnc3n2CCNC3)CC1
InChIInChI=1S/C19H24FN5O2/c1-13(27-16-4-2-15(20)3-5-16)19(26)24-9-6-14(7-10-24)18-23-22-17-12-21-8-11-25(17)18/h2-5,13-14,21H,6-12H2,1H3
InChIKeyASNXXKBOZFSMIN-UHFFFAOYSA-N
XLogP1.69
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenoxy)-1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]propan-1-one
CID 120823387
2-(4-methoxyphenyl)-1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]propan-1-one
CID 120824198
2-cycloheptyloxy-1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]propan-1-one
CID 120824140
2-phenylmethoxy-1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]propan-1-one;hydrochloride
CID 120823693
1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-2-phenoxypropan-1-one
CID 75479278
1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-2-thiophen-3-ylpropan-1-one
CID 120823644
(2S)-2-(dimethylamino)-3-methyl-1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 120833549
2-[4-(2-methylpropoxy)phenyl]-1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanone;hydrochloride
CID 120823134
2-(4-methylphenoxy)-1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 120833369
2-(2,5-dimethoxyphenyl)-1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 120823914
2-(4-methoxyphenyl)sulfanyl-1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 120824268
1-[4-[2-oxo-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethoxy]phenyl]propan-1-one;hydrochloride
CID 120824113

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-(4-fluorophenoxy)-1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]propan-1-one (CID 120823602) is 2-(4-fluorophenoxy)-1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-(4-fluorophenoxy)-1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-(4-fluorophenoxy)-1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]propan-1-one is CC(Oc1ccc(F)cc1)C(=O)N1CCC(c2nnc3n2CCNC3)CC1.
What is the InChIKey of 2-(4-fluorophenoxy)-1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]propan-1-one?
The InChIKey is ASNXXKBOZFSMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O2/c1-13(27-16-4-2-15(20)3-5-16)19(26)24-9-6-14(7-10-24)18-23-22-17-12-21-8-11-25(17)18/h2-5,13-14,21H,6-12H2,1H3.
What are the key properties of 2-(4-fluorophenoxy)-1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]propan-1-one?
2-(4-fluorophenoxy)-1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]propan-1-one has a molecular weight of 373.43 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 120823602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).