1-[4-(4-methylpiperidin-1-yl)-3-pyridinyl]ethanone

C13H18N2O — CID 83888249

IUPAC1-[4-(4-methylpiperidin-1-yl)-3-pyridinyl]ethanone
SMILESCC(=O)c1cnccc1N1CCC(C)CC1
InChIInChI=1S/C13H18N2O/c1-10-4-7-15(8-5-10)13-3-6-14-9-12(13)11(2)16/h3,6,9-10H,4-5,7-8H2,1-2H3
InChIKeyAQJOPQMLONNIDU-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.52
Rot. Bonds2

About 1-[4-(4-methylpiperidin-1-yl)-3-pyridinyl]ethanone

1-[4-(4-methylpiperidin-1-yl)-3-pyridinyl]ethanone (PubChem CID 83888249) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-[4-(4-methylpiperidin-1-yl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[4-(4-methylpiperidin-1-yl)-3-pyridinyl]ethanone
PubChem CID83888249
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-[4-(4-methylpiperidin-1-yl)-3-pyridinyl]ethanone
SMILESCC(=O)c1cnccc1N1CCC(C)CC1
InChIInChI=1S/C13H18N2O/c1-10-4-7-15(8-5-10)13-3-6-14-9-12(13)11(2)16/h3,6,9-10H,4-5,7-8H2,1-2H3
InChIKeyAQJOPQMLONNIDU-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylpiperidin-1-yl)-3-pyridinyl]ethanone?
The IUPAC name of 1-[4-(4-methylpiperidin-1-yl)-3-pyridinyl]ethanone (CID 83888249) is 1-[4-(4-methylpiperidin-1-yl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[4-(4-methylpiperidin-1-yl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[4-(4-methylpiperidin-1-yl)-3-pyridinyl]ethanone is CC(=O)c1cnccc1N1CCC(C)CC1.
What is the InChIKey of 1-[4-(4-methylpiperidin-1-yl)-3-pyridinyl]ethanone?
The InChIKey is AQJOPQMLONNIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10-4-7-15(8-5-10)13-3-6-14-9-12(13)11(2)16/h3,6,9-10H,4-5,7-8H2,1-2H3.
What are the key properties of 1-[4-(4-methylpiperidin-1-yl)-3-pyridinyl]ethanone?
1-[4-(4-methylpiperidin-1-yl)-3-pyridinyl]ethanone has a molecular weight of 218.30 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylpiperidin-1-yl)-3-pyridinyl]ethanone is sourced from PubChem (CID 83888249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).