1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]ethanone

C13H18N2O — CID 63845665

IUPAC1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(c2ccc(C)cn2)CC1
InChIInChI=1S/C13H18N2O/c1-10-3-4-13(14-9-10)15-7-5-12(6-8-15)11(2)16/h3-4,9,12H,5-8H2,1-2H3
InChIKeyOFMMEEYOQZPBBT-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.20
Rot. Bonds2

About 1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]ethanone

1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]ethanone (PubChem CID 63845665) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]ethanone
PubChem CID63845665
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(c2ccc(C)cn2)CC1
InChIInChI=1S/C13H18N2O/c1-10-3-4-13(14-9-10)15-7-5-12(6-8-15)11(2)16/h3-4,9,12H,5-8H2,1-2H3
InChIKeyOFMMEEYOQZPBBT-UHFFFAOYSA-N
XLogP2.20
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]propan-1-one
CID 155710623
1-(1-pyridin-2-ylpiperidin-4-yl)ethanone
CID 63845661
N-tert-butyl-1-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 172890921
1-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]ethanone
CID 114869038
tert-butyl-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]carbamic acid
CID 67243572
1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylic acid
CID 66656112
(1S,2R,3S,4R)-3-[[1-(5-methyl-2-pyridinyl)piperidine-4-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 154867230
N-(2-hydroxy-2-propylpentyl)-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 111485089
1-(5-methyl-2-pyridinyl)-N-(2H-triazol-4-ylmethyl)piperidine-4-carboxamide
CID 75494567
1-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 90309940
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 111696767
2-cyclopropyl-2-hydroxy-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]propanamide
CID 154757649

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]ethanone?
The IUPAC name of 1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]ethanone (CID 63845665) is 1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]ethanone.
What is the SMILES notation for 1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]ethanone?
The canonical SMILES for 1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]ethanone is CC(=O)C1CCN(c2ccc(C)cn2)CC1.
What is the InChIKey of 1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]ethanone?
The InChIKey is OFMMEEYOQZPBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10-3-4-13(14-9-10)15-7-5-12(6-8-15)11(2)16/h3-4,9,12H,5-8H2,1-2H3.
What are the key properties of 1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]ethanone?
1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]ethanone has a molecular weight of 218.30 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]ethanone is sourced from PubChem (CID 63845665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).