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

C18H31N5O3 — CID 56702812

IUPAC4-ethyl-2-methyl-5-[1-(4-morpholin-4-ylbutanoyl)piperidin-4-yl]-1,2,4-triazol-3-one
SMILESCCn1c(C2CCN(C(=O)CCCN3CCOCC3)CC2)nn(C)c1=O
InChIInChI=1S/C18H31N5O3/c1-3-23-17(19-20(2)18(23)25)15-6-9-22(10-7-15)16(24)5-4-8-21-11-13-26-14-12-21/h15H,3-14H2,1-2H3
InChIKeyGSENYAIKBNQZCS-UHFFFAOYSA-N
MW365.48 g/mol
LogP0.42
Rot. Bonds6

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

4-ethyl-2-methyl-5-[1-(4-morpholin-4-ylbutanoyl)piperidin-4-yl]-1,2,4-triazol-3-one (PubChem CID 56702812) has the molecular formula C18H31N5O3 and a molecular weight of 365.48 g/mol. Its IUPAC name is 4-ethyl-2-methyl-5-[1-(4-morpholin-4-ylbutanoyl)piperidin-4-yl]-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-ethyl-2-methyl-5-[1-(4-morpholin-4-ylbutanoyl)piperidin-4-yl]-1,2,4-triazol-3-one
PubChem CID56702812
Molecular FormulaC18H31N5O3
Molecular Weight365.48 g/mol
Exact Mass365.24
IUPAC Name4-ethyl-2-methyl-5-[1-(4-morpholin-4-ylbutanoyl)piperidin-4-yl]-1,2,4-triazol-3-one
SMILESCCn1c(C2CCN(C(=O)CCCN3CCOCC3)CC2)nn(C)c1=O
InChIInChI=1S/C18H31N5O3/c1-3-23-17(19-20(2)18(23)25)15-6-9-22(10-7-15)16(24)5-4-8-21-11-13-26-14-12-21/h15H,3-14H2,1-2H3
InChIKeyGSENYAIKBNQZCS-UHFFFAOYSA-N
XLogP0.42
TPSA72.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-ethyl-2-methyl-5-[1-(4-morpholin-4-ylbutanoyl)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-(2-methyl-2-morpholin-4-ylpropyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56754783
4-cyclopropyl-1-methyl-3-(1-(2-morpholino-2-oxoethyl)piperidin-4-yl)-1H-1,2,4-triazol-5(4H)-one
CID 76146557
3-(1-(cyclopropanecarbonyl)piperidin-4-yl)-4-methyl-1-(2-morpholino-2-oxoethyl)-1H-1,2,4-triazol-5(4H)-one
CID 121069979
3-(1-acetylpiperidin-4-yl)-4-ethyl-1-(2-methoxyethyl)-1H-1,2,4-triazol-5(4H)-one
CID 121115118
3-(1-butyrylpiperidin-4-yl)-4-ethyl-1-(2-methoxyethyl)-1H-1,2,4-triazol-5(4H)-one
CID 121115119
4-ethyl-1-(2-methoxyethyl)-3-(1-propionylpiperidin-4-yl)-1H-1,2,4-triazol-5(4H)-one
CID 121115120
4-ethyl-3-(1-isobutyrylpiperidin-4-yl)-1-(2-methoxyethyl)-1H-1,2,4-triazol-5(4H)-one
CID 121115121
4-ethyl-1-(2-methoxyethyl)-3-(1-pentanoylpiperidin-4-yl)-1H-1,2,4-triazol-5(4H)-one
CID 121115122
4-ethyl-1-(2-methoxyethyl)-3-(1-pivaloylpiperidin-4-yl)-1H-1,2,4-triazol-5(4H)-one
CID 121115123
4-ethyl-1-(2-methoxyethyl)-3-(1-(3-methylbutanoyl)piperidin-4-yl)-1H-1,2,4-triazol-5(4H)-one
CID 121115124

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-5-[1-(4-morpholin-4-ylbutanoyl)piperidin-4-yl]-1,2,4-triazol-3-one?
The IUPAC name of 4-ethyl-2-methyl-5-[1-(4-morpholin-4-ylbutanoyl)piperidin-4-yl]-1,2,4-triazol-3-one (CID 56702812) is 4-ethyl-2-methyl-5-[1-(4-morpholin-4-ylbutanoyl)piperidin-4-yl]-1,2,4-triazol-3-one.
What is the SMILES notation for 4-ethyl-2-methyl-5-[1-(4-morpholin-4-ylbutanoyl)piperidin-4-yl]-1,2,4-triazol-3-one?
The canonical SMILES for 4-ethyl-2-methyl-5-[1-(4-morpholin-4-ylbutanoyl)piperidin-4-yl]-1,2,4-triazol-3-one is CCn1c(C2CCN(C(=O)CCCN3CCOCC3)CC2)nn(C)c1=O.
What is the InChIKey of 4-ethyl-2-methyl-5-[1-(4-morpholin-4-ylbutanoyl)piperidin-4-yl]-1,2,4-triazol-3-one?
The InChIKey is GSENYAIKBNQZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O3/c1-3-23-17(19-20(2)18(23)25)15-6-9-22(10-7-15)16(24)5-4-8-21-11-13-26-14-12-21/h15H,3-14H2,1-2H3.
What are the key properties of 4-ethyl-2-methyl-5-[1-(4-morpholin-4-ylbutanoyl)piperidin-4-yl]-1,2,4-triazol-3-one?
4-ethyl-2-methyl-5-[1-(4-morpholin-4-ylbutanoyl)piperidin-4-yl]-1,2,4-triazol-3-one has a molecular weight of 365.48 g/mol, XLogP of 0.42, 6 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-(4-morpholin-4-ylbutanoyl)piperidin-4-yl]-1,2,4-triazol-3-one is sourced from PubChem (CID 56702812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).