2-methoxy-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone

C15H25N3O2 — CID 52992566

IUPAC2-methoxy-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(Cn2ccnc2C(C)C)CC1
InChIInChI=1S/C15H25N3O2/c1-12(2)15-16-6-9-18(15)10-13-4-7-17(8-5-13)14(19)11-20-3/h6,9,12-13H,4-5,7-8,10-11H2,1-3H3
InChIKeyOYTOGIQTDOBGED-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.89
Rot. Bonds5

About 2-methoxy-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone

2-methoxy-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 52992566) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-methoxy-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
PubChem CID52992566
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-methoxy-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(Cn2ccnc2C(C)C)CC1
InChIInChI=1S/C15H25N3O2/c1-12(2)15-16-6-9-18(15)10-13-4-7-17(8-5-13)14(19)11-20-3/h6,9,12-13H,4-5,7-8,10-11H2,1-3H3
InChIKeyOYTOGIQTDOBGED-UHFFFAOYSA-N
XLogP1.89
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone (CID 52992566) is 2-methoxy-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone is COCC(=O)N1CCC(Cn2ccnc2C(C)C)CC1.
What is the InChIKey of 2-methoxy-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is OYTOGIQTDOBGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-12(2)15-16-6-9-18(15)10-13-4-7-17(8-5-13)14(19)11-20-3/h6,9,12-13H,4-5,7-8,10-11H2,1-3H3.
What are the key properties of 2-methoxy-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone?
2-methoxy-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 279.38 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 52992566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).