3-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one

C13H23N5O2 — CID 137192260

IUPAC3-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(C2CCCN(CCN3CCOCC3)C2)[nH]1
InChIInChI=1S/C13H23N5O2/c19-13-14-12(15-16-13)11-2-1-3-18(10-11)5-4-17-6-8-20-9-7-17/h11H,1-10H2,(H2,14,15,16,19)
InChIKeyCFYDIEGIOAUOKY-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.39
Rot. Bonds4

About 3-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one

3-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 137192260) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID137192260
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name3-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(C2CCCN(CCN3CCOCC3)C2)[nH]1
InChIInChI=1S/C13H23N5O2/c19-13-14-12(15-16-13)11-2-1-3-18(10-11)5-4-17-6-8-20-9-7-17/h11H,1-10H2,(H2,14,15,16,19)
InChIKeyCFYDIEGIOAUOKY-UHFFFAOYSA-N
XLogP-0.39
TPSA77.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one (CID 137192260) is 3-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one is O=c1[nH]nc(C2CCCN(CCN3CCOCC3)C2)[nH]1.
What is the InChIKey of 3-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is CFYDIEGIOAUOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c19-13-14-12(15-16-13)11-2-1-3-18(10-11)5-4-17-6-8-20-9-7-17/h11H,1-10H2,(H2,14,15,16,19).
What are the key properties of 3-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one?
3-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 281.36 g/mol, XLogP of -0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 137192260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).