2-methoxy-1-(2-pyrimidin-4-ylpiperidin-1-yl)ethanone

C12H17N3O2 — CID 110254253

IUPAC2-methoxy-1-(2-pyrimidin-4-ylpiperidin-1-yl)ethanone
SMILESCOCC(=O)N1CCCCC1c1ccncn1
InChIInChI=1S/C12H17N3O2/c1-17-8-12(16)15-7-3-2-4-11(15)10-5-6-13-9-14-10/h5-6,9,11H,2-4,7-8H2,1H3
InChIKeyROJYRVKJUCCPDD-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.18
Rot. Bonds3

About 2-methoxy-1-(2-pyrimidin-4-ylpiperidin-1-yl)ethanone

2-methoxy-1-(2-pyrimidin-4-ylpiperidin-1-yl)ethanone (PubChem CID 110254253) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-methoxy-1-(2-pyrimidin-4-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-methoxy-1-(2-pyrimidin-4-ylpiperidin-1-yl)ethanone
PubChem CID110254253
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-methoxy-1-(2-pyrimidin-4-ylpiperidin-1-yl)ethanone
SMILESCOCC(=O)N1CCCCC1c1ccncn1
InChIInChI=1S/C12H17N3O2/c1-17-8-12(16)15-7-3-2-4-11(15)10-5-6-13-9-14-10/h5-6,9,11H,2-4,7-8H2,1H3
InChIKeyROJYRVKJUCCPDD-UHFFFAOYSA-N
XLogP1.18
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(2-pyrimidin-4-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-methoxy-1-(2-pyrimidin-4-ylpiperidin-1-yl)ethanone (CID 110254253) is 2-methoxy-1-(2-pyrimidin-4-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-methoxy-1-(2-pyrimidin-4-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-methoxy-1-(2-pyrimidin-4-ylpiperidin-1-yl)ethanone is COCC(=O)N1CCCCC1c1ccncn1.
What is the InChIKey of 2-methoxy-1-(2-pyrimidin-4-ylpiperidin-1-yl)ethanone?
The InChIKey is ROJYRVKJUCCPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-17-8-12(16)15-7-3-2-4-11(15)10-5-6-13-9-14-10/h5-6,9,11H,2-4,7-8H2,1H3.
What are the key properties of 2-methoxy-1-(2-pyrimidin-4-ylpiperidin-1-yl)ethanone?
2-methoxy-1-(2-pyrimidin-4-ylpiperidin-1-yl)ethanone has a molecular weight of 235.29 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(2-pyrimidin-4-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 110254253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).