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

C18H25N5O3 — CID 56717110

IUPAC4-ethyl-2-methyl-5-[[1-(2-pyridin-3-yloxyacetyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one
SMILESCCn1c(CC2CCN(C(=O)COc3cccnc3)CC2)nn(C)c1=O
InChIInChI=1S/C18H25N5O3/c1-3-23-16(20-21(2)18(23)25)11-14-6-9-22(10-7-14)17(24)13-26-15-5-4-8-19-12-15/h4-5,8,12,14H,3,6-7,9-11,13H2,1-2H3
InChIKeyRWXSTCCLMFIVOZ-UHFFFAOYSA-N
MW359.43 g/mol
LogP0.86
Rot. Bonds6

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

4-ethyl-2-methyl-5-[[1-(2-pyridin-3-yloxyacetyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one (PubChem CID 56717110) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-ethyl-2-methyl-5-[[1-(2-pyridin-3-yloxyacetyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-ethyl-2-methyl-5-[[1-(2-pyridin-3-yloxyacetyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one
PubChem CID56717110
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name4-ethyl-2-methyl-5-[[1-(2-pyridin-3-yloxyacetyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one
SMILESCCn1c(CC2CCN(C(=O)COc3cccnc3)CC2)nn(C)c1=O
InChIInChI=1S/C18H25N5O3/c1-3-23-16(20-21(2)18(23)25)11-14-6-9-22(10-7-14)17(24)13-26-15-5-4-8-19-12-15/h4-5,8,12,14H,3,6-7,9-11,13H2,1-2H3
InChIKeyRWXSTCCLMFIVOZ-UHFFFAOYSA-N
XLogP0.86
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

1-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 124750923
1-(2-pyridin-3-yloxyacetyl)pyrrolidine-3-carboxylic acid
CID 119353905
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-pyridin-3-yloxyethanone
CID 120818044
4-ethyl-2-methyl-5-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]-1,2,4-triazol-3-one
CID 56719016
4-ethyl-5-[[1-[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]piperidin-4-yl]methyl]-2-methyl-1,2,4-triazol-3-one;dihydrochloride
CID 154892306
2-pyrazin-2-yl-4-[1-(2-pyridin-3-yloxyacetyl)piperidin-4-yl]-1H-pyrimidin-6-one
CID 136881384
2-pyridin-3-yloxy-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 121161768
1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 90591930
1-(2,6-dimethylmorpholin-4-yl)-2-pyridin-3-yloxyethanone
CID 110487906
1-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-2-phenoxyethanone
CID 46974022
1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 56753993
1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-pyridin-3-yloxyethanone
CID 95750442

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-5-[[1-(2-pyridin-3-yloxyacetyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one?
The IUPAC name of 4-ethyl-2-methyl-5-[[1-(2-pyridin-3-yloxyacetyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one (CID 56717110) is 4-ethyl-2-methyl-5-[[1-(2-pyridin-3-yloxyacetyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one.
What is the SMILES notation for 4-ethyl-2-methyl-5-[[1-(2-pyridin-3-yloxyacetyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one?
The canonical SMILES for 4-ethyl-2-methyl-5-[[1-(2-pyridin-3-yloxyacetyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one is CCn1c(CC2CCN(C(=O)COc3cccnc3)CC2)nn(C)c1=O.
What is the InChIKey of 4-ethyl-2-methyl-5-[[1-(2-pyridin-3-yloxyacetyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one?
The InChIKey is RWXSTCCLMFIVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-3-23-16(20-21(2)18(23)25)11-14-6-9-22(10-7-14)17(24)13-26-15-5-4-8-19-12-15/h4-5,8,12,14H,3,6-7,9-11,13H2,1-2H3.
What are the key properties of 4-ethyl-2-methyl-5-[[1-(2-pyridin-3-yloxyacetyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one?
4-ethyl-2-methyl-5-[[1-(2-pyridin-3-yloxyacetyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one has a molecular weight of 359.43 g/mol, XLogP of 0.86, 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-(2-pyridin-3-yloxyacetyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one is sourced from PubChem (CID 56717110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).