2-(5-ethyl-2-pyridinyl)-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone

C18H25N5O — CID 138034450

IUPAC2-(5-ethyl-2-pyridinyl)-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
SMILESCCc1ccc(CC(=O)N2CCC(c3nncn3CC)CC2)nc1
InChIInChI=1S/C18H25N5O/c1-3-14-5-6-16(19-12-14)11-17(24)23-9-7-15(8-10-23)18-21-20-13-22(18)4-2/h5-6,12-13,15H,3-4,7-11H2,1-2H3
InChIKeyPGLLUOOTYQDALZ-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.20
Rot. Bonds5

About 2-(5-ethyl-2-pyridinyl)-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone

2-(5-ethyl-2-pyridinyl)-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone (PubChem CID 138034450) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-(5-ethyl-2-pyridinyl)-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-ethyl-2-pyridinyl)-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
PubChem CID138034450
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name2-(5-ethyl-2-pyridinyl)-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
SMILESCCc1ccc(CC(=O)N2CCC(c3nncn3CC)CC2)nc1
InChIInChI=1S/C18H25N5O/c1-3-14-5-6-16(19-12-14)11-17(24)23-9-7-15(8-10-23)18-21-20-13-22(18)4-2/h5-6,12-13,15H,3-4,7-11H2,1-2H3
InChIKeyPGLLUOOTYQDALZ-UHFFFAOYSA-N
XLogP2.20
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(5-ethyl-2-pyridinyl)-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

2-[benzyl(methyl)amino]-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 56779983
[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone
CID 95271676
[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 56824322
[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 154747574
[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 154737982
[(4R)-3,4-dihydro-2H-chromen-4-yl]-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 95338732
1-[2-(cyclopropylmethoxymethyl)morpholin-4-yl]-2-(5-ethyl-2-pyridinyl)ethanone
CID 138035087
[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[6-(2-methylbutan-2-yl)spiro[2.5]octan-2-yl]methanone
CID 136541945
[4-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-cyclopropylmethanone
CID 53192510
(2-ethylpyrimidin-5-yl)-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 72885363
1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one
CID 126758367
4,6-bis[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine
CID 133485999

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-pyridinyl)-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(5-ethyl-2-pyridinyl)-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone (CID 138034450) is 2-(5-ethyl-2-pyridinyl)-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(5-ethyl-2-pyridinyl)-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(5-ethyl-2-pyridinyl)-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone is CCc1ccc(CC(=O)N2CCC(c3nncn3CC)CC2)nc1.
What is the InChIKey of 2-(5-ethyl-2-pyridinyl)-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
The InChIKey is PGLLUOOTYQDALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-3-14-5-6-16(19-12-14)11-17(24)23-9-7-15(8-10-23)18-21-20-13-22(18)4-2/h5-6,12-13,15H,3-4,7-11H2,1-2H3.
What are the key properties of 2-(5-ethyl-2-pyridinyl)-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
2-(5-ethyl-2-pyridinyl)-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone has a molecular weight of 327.43 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-pyridinyl)-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 138034450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).