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

C18H33N5O2 — CID 56754783

IUPAC4-ethyl-2-methyl-5-[1-(2-methyl-2-morpholin-4-ylpropyl)piperidin-4-yl]-1,2,4-triazol-3-one
SMILESCCn1c(C2CCN(CC(C)(C)N3CCOCC3)CC2)nn(C)c1=O
InChIInChI=1S/C18H33N5O2/c1-5-23-16(19-20(4)17(23)24)15-6-8-21(9-7-15)14-18(2,3)22-10-12-25-13-11-22/h15H,5-14H2,1-4H3
InChIKeyJJCHDUJFBOVXRB-UHFFFAOYSA-N
MW351.50 g/mol
LogP0.89
Rot. Bonds5

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

4-ethyl-2-methyl-5-[1-(2-methyl-2-morpholin-4-ylpropyl)piperidin-4-yl]-1,2,4-triazol-3-one (PubChem CID 56754783) has the molecular formula C18H33N5O2 and a molecular weight of 351.50 g/mol. Its IUPAC name is 4-ethyl-2-methyl-5-[1-(2-methyl-2-morpholin-4-ylpropyl)piperidin-4-yl]-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-ethyl-2-methyl-5-[1-(2-methyl-2-morpholin-4-ylpropyl)piperidin-4-yl]-1,2,4-triazol-3-one
PubChem CID56754783
Molecular FormulaC18H33N5O2
Molecular Weight351.50 g/mol
Exact Mass351.26
IUPAC Name4-ethyl-2-methyl-5-[1-(2-methyl-2-morpholin-4-ylpropyl)piperidin-4-yl]-1,2,4-triazol-3-one
SMILESCCn1c(C2CCN(CC(C)(C)N3CCOCC3)CC2)nn(C)c1=O
InChIInChI=1S/C18H33N5O2/c1-5-23-16(19-20(4)17(23)24)15-6-8-21(9-7-15)14-18(2,3)22-10-12-25-13-11-22/h15H,5-14H2,1-4H3
InChIKeyJJCHDUJFBOVXRB-UHFFFAOYSA-N
XLogP0.89
TPSA55.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-ethyl-2-methyl-5-[1-(2-methyl-2-morpholin-4-ylpropyl)piperidin-4-yl]-1,2,4-triazol-3-one with MolForge

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Related Compounds

5-[1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-3-yl]-4-ethyl-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56701983
4-ethyl-5-(1-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}piperidin-4-yl)-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56749503
4-ethyl-2-methyl-5-[1-(4-morpholin-4-ylbutanoyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56702812
4-cyclopropyl-1-methyl-3-(1-(2-morpholino-2-oxoethyl)piperidin-4-yl)-1H-1,2,4-triazol-5(4H)-one
CID 76146557
4-Butyl-5-[1-(dimethylamino)propyl]-2-[[4-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-1,2,4-triazole-3-thione
CID 78904636
4-cyclopropyl-3-(1-(2-ethoxyethyl)piperidin-4-yl)-1-methyl-1H-1,2,4-triazol-5(4H)-one
CID 90542920
4-cyclopropyl-3-(1-(2-(2,6-dimethylmorpholino)-2-oxoethyl)piperidin-4-yl)-1-methyl-1H-1,2,4-triazol-5(4H)-one
CID 90542937
1-(3-Ethyl-2-morpholin-4-ylpentyl)-2-methyl-3-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]guanidine;hydroiodide
CID 111936510
1-(3-Ethyl-2-morpholin-4-ylpentyl)-2-methyl-3-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]guanidine
CID 111936511
1-Ethyl-2-(3-ethyl-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 111936714
1-Ethyl-2-(3-ethyl-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
CID 111936715
N-(tert-butyl)-4-(4-ethyl-1-(2-methoxyethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 121115300

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-5-[1-(2-methyl-2-morpholin-4-ylpropyl)piperidin-4-yl]-1,2,4-triazol-3-one?
The IUPAC name of 4-ethyl-2-methyl-5-[1-(2-methyl-2-morpholin-4-ylpropyl)piperidin-4-yl]-1,2,4-triazol-3-one (CID 56754783) is 4-ethyl-2-methyl-5-[1-(2-methyl-2-morpholin-4-ylpropyl)piperidin-4-yl]-1,2,4-triazol-3-one.
What is the SMILES notation for 4-ethyl-2-methyl-5-[1-(2-methyl-2-morpholin-4-ylpropyl)piperidin-4-yl]-1,2,4-triazol-3-one?
The canonical SMILES for 4-ethyl-2-methyl-5-[1-(2-methyl-2-morpholin-4-ylpropyl)piperidin-4-yl]-1,2,4-triazol-3-one is CCn1c(C2CCN(CC(C)(C)N3CCOCC3)CC2)nn(C)c1=O.
What is the InChIKey of 4-ethyl-2-methyl-5-[1-(2-methyl-2-morpholin-4-ylpropyl)piperidin-4-yl]-1,2,4-triazol-3-one?
The InChIKey is JJCHDUJFBOVXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N5O2/c1-5-23-16(19-20(4)17(23)24)15-6-8-21(9-7-15)14-18(2,3)22-10-12-25-13-11-22/h15H,5-14H2,1-4H3.
What are the key properties of 4-ethyl-2-methyl-5-[1-(2-methyl-2-morpholin-4-ylpropyl)piperidin-4-yl]-1,2,4-triazol-3-one?
4-ethyl-2-methyl-5-[1-(2-methyl-2-morpholin-4-ylpropyl)piperidin-4-yl]-1,2,4-triazol-3-one has a molecular weight of 351.50 g/mol, XLogP of 0.89, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-5-[1-(2-methyl-2-morpholin-4-ylpropyl)piperidin-4-yl]-1,2,4-triazol-3-one is sourced from PubChem (CID 56754783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).