2-(5-ethyl-2-pyridinyl)-1-(3-propylpiperidin-3-yl)ethanone

C17H26N2O — CID 116569629

IUPAC2-(5-ethyl-2-pyridinyl)-1-(3-propylpiperidin-3-yl)ethanone
SMILESCCCC1(C(=O)Cc2ccc(CC)cn2)CCCNC1
InChIInChI=1S/C17H26N2O/c1-3-8-17(9-5-10-18-13-17)16(20)11-15-7-6-14(4-2)12-19-15/h6-7,12,18H,3-5,8-11,13H2,1-2H3
InChIKeyUFOJSISWADMIOY-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.93
Rot. Bonds6

About 2-(5-ethyl-2-pyridinyl)-1-(3-propylpiperidin-3-yl)ethanone

2-(5-ethyl-2-pyridinyl)-1-(3-propylpiperidin-3-yl)ethanone (PubChem CID 116569629) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(5-ethyl-2-pyridinyl)-1-(3-propylpiperidin-3-yl)ethanone.

Molecular Properties

Compound Name2-(5-ethyl-2-pyridinyl)-1-(3-propylpiperidin-3-yl)ethanone
PubChem CID116569629
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(5-ethyl-2-pyridinyl)-1-(3-propylpiperidin-3-yl)ethanone
SMILESCCCC1(C(=O)Cc2ccc(CC)cn2)CCCNC1
InChIInChI=1S/C17H26N2O/c1-3-8-17(9-5-10-18-13-17)16(20)11-15-7-6-14(4-2)12-19-15/h6-7,12,18H,3-5,8-11,13H2,1-2H3
InChIKeyUFOJSISWADMIOY-UHFFFAOYSA-N
XLogP2.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-ethyl-2-pyridinyl)-1-(1-methylcyclopentyl)ethanone
CID 115786162
1-[1-(aminomethyl)cyclobutyl]-2-(5-ethyl-2-pyridinyl)ethanone
CID 116600244
2-(5-bromo-2-pyridinyl)-1-(3-ethylpiperidin-3-yl)ethanone
CID 116568711
1-(1-aminocyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 116550422
2-(1-ethylpyrazol-4-yl)-1-(3-propylpiperidin-3-yl)ethanone
CID 116569829
2-(2,6-dimethylphenyl)-1-(3-propylpiperidin-3-yl)ethanone
CID 116569699
2-(2,5-dichlorophenyl)-1-(3-propylpiperidin-3-yl)ethanone
CID 116569754
1-(1-aminocyclopentyl)-3-(5-ethyl-2-pyridinyl)propan-2-one
CID 116578619
2-(4-fluoro-2-methylphenyl)-1-(3-propylpiperidin-3-yl)ethanone
CID 114350405
2-(3-chloro-2-fluorophenyl)-1-(3-propylpiperidin-3-yl)ethanone
CID 102865090
1-[1-(4-aminophenyl)cyclopropyl]-2-(5-ethyl-2-pyridinyl)ethanone
CID 116611651
3-propyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 55179348

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-pyridinyl)-1-(3-propylpiperidin-3-yl)ethanone?
The IUPAC name of 2-(5-ethyl-2-pyridinyl)-1-(3-propylpiperidin-3-yl)ethanone (CID 116569629) is 2-(5-ethyl-2-pyridinyl)-1-(3-propylpiperidin-3-yl)ethanone.
What is the SMILES notation for 2-(5-ethyl-2-pyridinyl)-1-(3-propylpiperidin-3-yl)ethanone?
The canonical SMILES for 2-(5-ethyl-2-pyridinyl)-1-(3-propylpiperidin-3-yl)ethanone is CCCC1(C(=O)Cc2ccc(CC)cn2)CCCNC1.
What is the InChIKey of 2-(5-ethyl-2-pyridinyl)-1-(3-propylpiperidin-3-yl)ethanone?
The InChIKey is UFOJSISWADMIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-8-17(9-5-10-18-13-17)16(20)11-15-7-6-14(4-2)12-19-15/h6-7,12,18H,3-5,8-11,13H2,1-2H3.
What are the key properties of 2-(5-ethyl-2-pyridinyl)-1-(3-propylpiperidin-3-yl)ethanone?
2-(5-ethyl-2-pyridinyl)-1-(3-propylpiperidin-3-yl)ethanone has a molecular weight of 274.41 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-pyridinyl)-1-(3-propylpiperidin-3-yl)ethanone is sourced from PubChem (CID 116569629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).