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

C13H18N2O2 — CID 83118736

IUPAC1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethanone
SMILESCOC1CCN(c2ccc(C(C)=O)nc2)CC1
InChIInChI=1S/C13H18N2O2/c1-10(16)13-4-3-11(9-14-13)15-7-5-12(17-2)6-8-15/h3-4,9,12H,5-8H2,1-2H3
InChIKeyNOHMKVWLCRDOHY-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.90
Rot. Bonds3

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

1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethanone (PubChem CID 83118736) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethanone
PubChem CID83118736
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethanone
SMILESCOC1CCN(c2ccc(C(C)=O)nc2)CC1
InChIInChI=1S/C13H18N2O2/c1-10(16)13-4-3-11(9-14-13)15-7-5-12(17-2)6-8-15/h3-4,9,12H,5-8H2,1-2H3
InChIKeyNOHMKVWLCRDOHY-UHFFFAOYSA-N
XLogP1.90
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(6-acetyl-3-pyridinyl)piperidin-4-yl]methyl]acetamide
CID 102736440
1-[5-(3-hydroxy-4-methylpiperidin-1-yl)-2-pyridinyl]ethanone
CID 102958776
1-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]ethanone
CID 83120198
1-(5-piperazin-1-yl-2-pyridinyl)ethanone
CID 79020099
1-[5-(4-tert-butylazepan-1-yl)-2-pyridinyl]ethanone
CID 83119164
1-[5-(4-propylazepan-1-yl)-2-pyridinyl]ethanone
CID 83118890
(1S)-1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethanol
CID 83131766
methyl 5-[4-(dimethoxymethyl)piperidin-1-yl]pyridine-2-carboxylate
CID 171800424
methyl 1-(6-acetyl-3-pyridinyl)-4-methylpyrrolidine-3-carboxylate
CID 83126121
5-(4-aminopiperidin-1-yl)pyridine-2-carboxylic acid
CID 115760472
N-(3-methoxypropyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109183419
1-[5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]ethanone
CID 114410234

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethanone?
The IUPAC name of 1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethanone (CID 83118736) is 1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethanone?
The canonical SMILES for 1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethanone is COC1CCN(c2ccc(C(C)=O)nc2)CC1.
What is the InChIKey of 1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethanone?
The InChIKey is NOHMKVWLCRDOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10(16)13-4-3-11(9-14-13)15-7-5-12(17-2)6-8-15/h3-4,9,12H,5-8H2,1-2H3.
What are the key properties of 1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethanone?
1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethanone has a molecular weight of 234.30 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethanone is sourced from PubChem (CID 83118736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).