1-[3-(2,6-dichloropyrimidin-4-yl)piperidin-1-yl]ethanone

C11H13Cl2N3O — CID 154943100

IUPAC1-[3-(2,6-dichloropyrimidin-4-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(c2cc(Cl)nc(Cl)n2)C1
InChIInChI=1S/C11H13Cl2N3O/c1-7(17)16-4-2-3-8(6-16)9-5-10(12)15-11(13)14-9/h5,8H,2-4,6H2,1H3
InChIKeyPYYPKDGXOZDKEU-UHFFFAOYSA-N
MW274.15 g/mol
LogP2.51
Rot. Bonds1

About 1-[3-(2,6-dichloropyrimidin-4-yl)piperidin-1-yl]ethanone

1-[3-(2,6-dichloropyrimidin-4-yl)piperidin-1-yl]ethanone (PubChem CID 154943100) has the molecular formula C11H13Cl2N3O and a molecular weight of 274.15 g/mol. Its IUPAC name is 1-[3-(2,6-dichloropyrimidin-4-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2,6-dichloropyrimidin-4-yl)piperidin-1-yl]ethanone
PubChem CID154943100
Molecular FormulaC11H13Cl2N3O
Molecular Weight274.15 g/mol
Exact Mass273.04
IUPAC Name1-[3-(2,6-dichloropyrimidin-4-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(c2cc(Cl)nc(Cl)n2)C1
InChIInChI=1S/C11H13Cl2N3O/c1-7(17)16-4-2-3-8(6-16)9-5-10(12)15-11(13)14-9/h5,8H,2-4,6H2,1H3
InChIKeyPYYPKDGXOZDKEU-UHFFFAOYSA-N
XLogP2.51
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,6-dichloropyrimidin-4-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-(2,6-dichloropyrimidin-4-yl)piperidin-1-yl]ethanone (CID 154943100) is 1-[3-(2,6-dichloropyrimidin-4-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(2,6-dichloropyrimidin-4-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(2,6-dichloropyrimidin-4-yl)piperidin-1-yl]ethanone is CC(=O)N1CCCC(c2cc(Cl)nc(Cl)n2)C1.
What is the InChIKey of 1-[3-(2,6-dichloropyrimidin-4-yl)piperidin-1-yl]ethanone?
The InChIKey is PYYPKDGXOZDKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N3O/c1-7(17)16-4-2-3-8(6-16)9-5-10(12)15-11(13)14-9/h5,8H,2-4,6H2,1H3.
What are the key properties of 1-[3-(2,6-dichloropyrimidin-4-yl)piperidin-1-yl]ethanone?
1-[3-(2,6-dichloropyrimidin-4-yl)piperidin-1-yl]ethanone has a molecular weight of 274.15 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,6-dichloropyrimidin-4-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 154943100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).