4-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)-5-piperidin-3-yl-1,2,4-triazol-3-one;hydrochloride

C15H26ClN5O3 — CID 154885754

IUPAC4-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)-5-piperidin-3-yl-1,2,4-triazol-3-one;hydrochloride
SMILESCCn1c(C2CCCNC2)nn(CC(=O)N2CCOCC2)c1=O.Cl
InChIInChI=1S/C15H25N5O3.ClH/c1-2-19-14(12-4-3-5-16-10-12)17-20(15(19)22)11-13(21)18-6-8-23-9-7-18;/h12,16H,2-11H2,1H3;1H
InChIKeyOENWFXVYTJKKSH-UHFFFAOYSA-N
MW359.86 g/mol
LogP-0.19
Rot. Bonds4

About 4-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)-5-piperidin-3-yl-1,2,4-triazol-3-one;hydrochloride

4-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)-5-piperidin-3-yl-1,2,4-triazol-3-one;hydrochloride (PubChem CID 154885754) has the molecular formula C15H26ClN5O3 and a molecular weight of 359.86 g/mol. Its IUPAC name is 4-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)-5-piperidin-3-yl-1,2,4-triazol-3-one;hydrochloride.

Molecular Properties

Compound Name4-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)-5-piperidin-3-yl-1,2,4-triazol-3-one;hydrochloride
PubChem CID154885754
Molecular FormulaC15H26ClN5O3
Molecular Weight359.86 g/mol
Exact Mass359.17
IUPAC Name4-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)-5-piperidin-3-yl-1,2,4-triazol-3-one;hydrochloride
SMILESCCn1c(C2CCCNC2)nn(CC(=O)N2CCOCC2)c1=O.Cl
InChIInChI=1S/C15H25N5O3.ClH/c1-2-19-14(12-4-3-5-16-10-12)17-20(15(19)22)11-13(21)18-6-8-23-9-7-18;/h12,16H,2-11H2,1H3;1H
InChIKeyOENWFXVYTJKKSH-UHFFFAOYSA-N
XLogP-0.19
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)-5-piperidin-3-yl-1,2,4-triazol-3-one;hydrochloride with MolForge

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Related Compounds

4-ethyl-5-(3-piperidinyl)-2-(2-propoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one dihydrochloride
CID 56711009
4-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)-5-piperidin-4-yl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 50960032
4-ethyl-2-[2-(4-morpholinyl)-2-oxoethyl]-5-(3-piperidinyl)-2,4-dihydro-3H-1,2,4-triazol-3-one hydrochloride
CID 56704822
4-ethyl-5-(1-{[(2-methoxyethyl)(methyl)amino]acetyl}piperidin-3-yl)-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56709835
4-ethyl-2-[2-(4-morpholinyl)-2-oxoethyl]-5-(4-piperidinylmethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one dihydrochloride
CID 56880144
4-ethyl-5-[(3R)-1-[2-[2-methoxyethyl(methyl)amino]acetyl]piperidin-3-yl]-2-methyl-1,2,4-triazol-3-one
CID 95214348
4-ethyl-5-[(3S)-1-[2-[2-methoxyethyl(methyl)amino]acetyl]piperidin-3-yl]-2-methyl-1,2,4-triazol-3-one
CID 95214349
4-ethyl-5-[(3R)-piperidin-3-yl]-2-(2-propoxyethyl)-1,2,4-triazol-3-one
CID 95218629
4-ethyl-5-[(3S)-piperidin-3-yl]-2-(2-propoxyethyl)-1,2,4-triazol-3-one
CID 95218630
2-Methyl-1-(3-methyl-2-morpholin-4-ylbutyl)-3-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]guanidine
CID 111930804
1-Ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)-3-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]guanidine
CID 111931266
2-Methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]guanidine;hydroiodide
CID 111935370

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)-5-piperidin-3-yl-1,2,4-triazol-3-one;hydrochloride?
The IUPAC name of 4-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)-5-piperidin-3-yl-1,2,4-triazol-3-one;hydrochloride (CID 154885754) is 4-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)-5-piperidin-3-yl-1,2,4-triazol-3-one;hydrochloride.
What is the SMILES notation for 4-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)-5-piperidin-3-yl-1,2,4-triazol-3-one;hydrochloride?
The canonical SMILES for 4-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)-5-piperidin-3-yl-1,2,4-triazol-3-one;hydrochloride is CCn1c(C2CCCNC2)nn(CC(=O)N2CCOCC2)c1=O.Cl.
What is the InChIKey of 4-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)-5-piperidin-3-yl-1,2,4-triazol-3-one;hydrochloride?
The InChIKey is OENWFXVYTJKKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O3.ClH/c1-2-19-14(12-4-3-5-16-10-12)17-20(15(19)22)11-13(21)18-6-8-23-9-7-18;/h12,16H,2-11H2,1H3;1H.
What are the key properties of 4-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)-5-piperidin-3-yl-1,2,4-triazol-3-one;hydrochloride?
4-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)-5-piperidin-3-yl-1,2,4-triazol-3-one;hydrochloride has a molecular weight of 359.86 g/mol, XLogP of -0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)-5-piperidin-3-yl-1,2,4-triazol-3-one;hydrochloride is sourced from PubChem (CID 154885754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).