2-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

C19H24FN5O2 — CID 134801304

IUPAC2-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=C(c1ccccc1F)N1CCN(CCn2nc3n(c2=O)CCCC3)CC1
InChIInChI=1S/C19H24FN5O2/c20-16-6-2-1-5-15(16)18(26)23-12-9-22(10-13-23)11-14-25-19(27)24-8-4-3-7-17(24)21-25/h1-2,5-6H,3-4,7-14H2
InChIKeyVKCFCSWGKHFXEJ-UHFFFAOYSA-N
MW373.43 g/mol
LogP0.98
Rot. Bonds4

About 2-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 134801304) has the molecular formula C19H24FN5O2 and a molecular weight of 373.43 g/mol. Its IUPAC name is 2-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID134801304
Molecular FormulaC19H24FN5O2
Molecular Weight373.43 g/mol
Exact Mass373.19
IUPAC Name2-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=C(c1ccccc1F)N1CCN(CCn2nc3n(c2=O)CCCC3)CC1
InChIInChI=1S/C19H24FN5O2/c20-16-6-2-1-5-15(16)18(26)23-12-9-22(10-13-23)11-14-25-19(27)24-8-4-3-7-17(24)21-25/h1-2,5-6H,3-4,7-14H2
InChIKeyVKCFCSWGKHFXEJ-UHFFFAOYSA-N
XLogP0.98
TPSA63.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 134801304) is 2-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=C(c1ccccc1F)N1CCN(CCn2nc3n(c2=O)CCCC3)CC1.
What is the InChIKey of 2-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is VKCFCSWGKHFXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O2/c20-16-6-2-1-5-15(16)18(26)23-12-9-22(10-13-23)11-14-25-19(27)24-8-4-3-7-17(24)21-25/h1-2,5-6H,3-4,7-14H2.
What are the key properties of 2-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 373.43 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 134801304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).