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

C12H19N5O3 — CID 137226152

IUPAC3-[1-(morpholine-4-carbonyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=C(N1CCOCC1)N1CCCC(c2n[nH]c(=O)[nH]2)C1
InChIInChI=1S/C12H19N5O3/c18-11-13-10(14-15-11)9-2-1-3-17(8-9)12(19)16-4-6-20-7-5-16/h9H,1-8H2,(H2,13,14,15,18)
InChIKeyQEZILEKGUPBWNL-UHFFFAOYSA-N
MW281.32 g/mol
LogP-0.27
Rot. Bonds1

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

3-[1-(morpholine-4-carbonyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 137226152) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is 3-[1-(morpholine-4-carbonyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[1-(morpholine-4-carbonyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID137226152
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name3-[1-(morpholine-4-carbonyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=C(N1CCOCC1)N1CCCC(c2n[nH]c(=O)[nH]2)C1
InChIInChI=1S/C12H19N5O3/c18-11-13-10(14-15-11)9-2-1-3-17(8-9)12(19)16-4-6-20-7-5-16/h9H,1-8H2,(H2,13,14,15,18)
InChIKeyQEZILEKGUPBWNL-UHFFFAOYSA-N
XLogP-0.27
TPSA94.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(morpholine-4-carbonyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-[1-(morpholine-4-carbonyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one (CID 137226152) is 3-[1-(morpholine-4-carbonyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[1-(morpholine-4-carbonyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-[1-(morpholine-4-carbonyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one is O=C(N1CCOCC1)N1CCCC(c2n[nH]c(=O)[nH]2)C1.
What is the InChIKey of 3-[1-(morpholine-4-carbonyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is QEZILEKGUPBWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c18-11-13-10(14-15-11)9-2-1-3-17(8-9)12(19)16-4-6-20-7-5-16/h9H,1-8H2,(H2,13,14,15,18).
What are the key properties of 3-[1-(morpholine-4-carbonyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one?
3-[1-(morpholine-4-carbonyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 281.32 g/mol, XLogP of -0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(morpholine-4-carbonyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 137226152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).