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

C15H25N5O3 — CID 137199419

IUPAC3-[1-(2-methyl-2-morpholin-4-ylpropanoyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESCC(C)(C(=O)N1CCCC(c2n[nH]c(=O)[nH]2)C1)N1CCOCC1
InChIInChI=1S/C15H25N5O3/c1-15(2,20-6-8-23-9-7-20)13(21)19-5-3-4-11(10-19)12-16-14(22)18-17-12/h11H,3-10H2,1-2H3,(H2,16,17,18,22)
InChIKeyQEFLWQFYAYJZAM-UHFFFAOYSA-N
MW323.40 g/mol
LogP-0.09
Rot. Bonds3

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

3-[1-(2-methyl-2-morpholin-4-ylpropanoyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 137199419) has the molecular formula C15H25N5O3 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-[1-(2-methyl-2-morpholin-4-ylpropanoyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[1-(2-methyl-2-morpholin-4-ylpropanoyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID137199419
Molecular FormulaC15H25N5O3
Molecular Weight323.40 g/mol
Exact Mass323.20
IUPAC Name3-[1-(2-methyl-2-morpholin-4-ylpropanoyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESCC(C)(C(=O)N1CCCC(c2n[nH]c(=O)[nH]2)C1)N1CCOCC1
InChIInChI=1S/C15H25N5O3/c1-15(2,20-6-8-23-9-7-20)13(21)19-5-3-4-11(10-19)12-16-14(22)18-17-12/h11H,3-10H2,1-2H3,(H2,16,17,18,22)
InChIKeyQEFLWQFYAYJZAM-UHFFFAOYSA-N
XLogP-0.09
TPSA94.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methyl-2-morpholin-4-ylpropanoyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-[1-(2-methyl-2-morpholin-4-ylpropanoyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one (CID 137199419) is 3-[1-(2-methyl-2-morpholin-4-ylpropanoyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[1-(2-methyl-2-morpholin-4-ylpropanoyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-[1-(2-methyl-2-morpholin-4-ylpropanoyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one is CC(C)(C(=O)N1CCCC(c2n[nH]c(=O)[nH]2)C1)N1CCOCC1.
What is the InChIKey of 3-[1-(2-methyl-2-morpholin-4-ylpropanoyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is QEFLWQFYAYJZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O3/c1-15(2,20-6-8-23-9-7-20)13(21)19-5-3-4-11(10-19)12-16-14(22)18-17-12/h11H,3-10H2,1-2H3,(H2,16,17,18,22).
What are the key properties of 3-[1-(2-methyl-2-morpholin-4-ylpropanoyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one?
3-[1-(2-methyl-2-morpholin-4-ylpropanoyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 323.40 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methyl-2-morpholin-4-ylpropanoyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 137199419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).