1-[6-(3-methoxypiperidin-1-yl)-3-pyridinyl]ethanone

C13H18N2O2 — CID 103894520

IUPAC1-[6-(3-methoxypiperidin-1-yl)-3-pyridinyl]ethanone
SMILESCOC1CCCN(c2ccc(C(C)=O)cn2)C1
InChIInChI=1S/C13H18N2O2/c1-10(16)11-5-6-13(14-8-11)15-7-3-4-12(9-15)17-2/h5-6,8,12H,3-4,7,9H2,1-2H3
InChIKeyQBHIWBIQFHHNKU-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.90
Rot. Bonds3

About 1-[6-(3-methoxypiperidin-1-yl)-3-pyridinyl]ethanone

1-[6-(3-methoxypiperidin-1-yl)-3-pyridinyl]ethanone (PubChem CID 103894520) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[6-(3-methoxypiperidin-1-yl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-(3-methoxypiperidin-1-yl)-3-pyridinyl]ethanone
PubChem CID103894520
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-[6-(3-methoxypiperidin-1-yl)-3-pyridinyl]ethanone
SMILESCOC1CCCN(c2ccc(C(C)=O)cn2)C1
InChIInChI=1S/C13H18N2O2/c1-10(16)11-5-6-13(14-8-11)15-7-3-4-12(9-15)17-2/h5-6,8,12H,3-4,7,9H2,1-2H3
InChIKeyQBHIWBIQFHHNKU-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

6-[(3S)-3-methoxypiperidin-1-yl]pyridin-3-amine
CID 129395792
6-(3-methoxypiperidin-1-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133329253
6-(3-methoxyazetidin-1-yl)pyridine-3-carboxylic acid
CID 121201375
[6-(3-methoxypiperidin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 56745433
1-[6-(3,4-dimethylpiperidin-1-yl)-3-pyridinyl]ethanone
CID 115886198
methyl 1-(5-carbamoyl-2-pyridinyl)piperidine-3-carboxylate
CID 115538439
ethane;6-(3-methoxyazetidin-1-yl)pyridine-3-carboxamide
CID 170568898
1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylic acid
CID 66656112
2-(3-methoxypiperidin-1-yl)pyridine
CID 90697090
1-[6-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]ethanone
CID 115969554
ethyl 1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylate
CID 66656004
[6-[3-(2-hydroxyethoxy)piperidin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133315243

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-methoxypiperidin-1-yl)-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-(3-methoxypiperidin-1-yl)-3-pyridinyl]ethanone (CID 103894520) is 1-[6-(3-methoxypiperidin-1-yl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-(3-methoxypiperidin-1-yl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-(3-methoxypiperidin-1-yl)-3-pyridinyl]ethanone is COC1CCCN(c2ccc(C(C)=O)cn2)C1.
What is the InChIKey of 1-[6-(3-methoxypiperidin-1-yl)-3-pyridinyl]ethanone?
The InChIKey is QBHIWBIQFHHNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10(16)11-5-6-13(14-8-11)15-7-3-4-12(9-15)17-2/h5-6,8,12H,3-4,7,9H2,1-2H3.
What are the key properties of 1-[6-(3-methoxypiperidin-1-yl)-3-pyridinyl]ethanone?
1-[6-(3-methoxypiperidin-1-yl)-3-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-[6-(3-methoxypiperidin-1-yl)-3-pyridinyl]ethanone is sourced from PubChem (CID 103894520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).