1-(1-pyridin-2-ylpiperidin-4-yl)ethanone

C12H16N2O — CID 63845661

IUPAC1-(1-pyridin-2-ylpiperidin-4-yl)ethanone
SMILESCC(=O)C1CCN(c2ccccn2)CC1
InChIInChI=1S/C12H16N2O/c1-10(15)11-5-8-14(9-6-11)12-4-2-3-7-13-12/h2-4,7,11H,5-6,8-9H2,1H3
InChIKeyACHGQSAITUKTIF-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.89
Rot. Bonds2

About 1-(1-pyridin-2-ylpiperidin-4-yl)ethanone

1-(1-pyridin-2-ylpiperidin-4-yl)ethanone (PubChem CID 63845661) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(1-pyridin-2-ylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-pyridin-2-ylpiperidin-4-yl)ethanone
PubChem CID63845661
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-(1-pyridin-2-ylpiperidin-4-yl)ethanone
SMILESCC(=O)C1CCN(c2ccccn2)CC1
InChIInChI=1S/C12H16N2O/c1-10(15)11-5-8-14(9-6-11)12-4-2-3-7-13-12/h2-4,7,11H,5-6,8-9H2,1H3
InChIKeyACHGQSAITUKTIF-UHFFFAOYSA-N
XLogP1.89
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-oxo-N-(1-pyridin-2-ylpiperidin-4-yl)butanamide
CID 61250819
ethane;2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine
CID 143719277
1-(4-acetylpiperazin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108508501
1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone
CID 122598259
1-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]ethanone
CID 63845323
(4-propan-2-ylcyclohexyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 167400923
2,2-difluoro-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 103514862
1-(1-quinolin-4-ylpiperidin-4-yl)ethanone
CID 63845490
(1-methylpiperidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854882
N-[2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 115706396
(2R)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-1-ol
CID 113260445
1-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)ethanone
CID 104730056

Frequently Asked Questions

What is the IUPAC name of 1-(1-pyridin-2-ylpiperidin-4-yl)ethanone?
The IUPAC name of 1-(1-pyridin-2-ylpiperidin-4-yl)ethanone (CID 63845661) is 1-(1-pyridin-2-ylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-(1-pyridin-2-ylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-(1-pyridin-2-ylpiperidin-4-yl)ethanone is CC(=O)C1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-(1-pyridin-2-ylpiperidin-4-yl)ethanone?
The InChIKey is ACHGQSAITUKTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-10(15)11-5-8-14(9-6-11)12-4-2-3-7-13-12/h2-4,7,11H,5-6,8-9H2,1H3.
What are the key properties of 1-(1-pyridin-2-ylpiperidin-4-yl)ethanone?
1-(1-pyridin-2-ylpiperidin-4-yl)ethanone has a molecular weight of 204.27 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pyridin-2-ylpiperidin-4-yl)ethanone is sourced from PubChem (CID 63845661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).