1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]ethanone

C15H25N3O — CID 110203835

IUPAC1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(Cc2ncc(C)n2C(C)C)C1
InChIInChI=1S/C15H25N3O/c1-11(2)18-12(3)9-16-15(18)8-14-6-5-7-17(10-14)13(4)19/h9,11,14H,5-8,10H2,1-4H3
InChIKeyJJIAHOWJRGVQEI-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.57
Rot. Bonds3

About 1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]ethanone

1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 110203835) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]ethanone
PubChem CID110203835
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(Cc2ncc(C)n2C(C)C)C1
InChIInChI=1S/C15H25N3O/c1-11(2)18-12(3)9-16-15(18)8-14-6-5-7-17(10-14)13(4)19/h9,11,14H,5-8,10H2,1-4H3
InChIKeyJJIAHOWJRGVQEI-UHFFFAOYSA-N
XLogP2.57
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]ethanone (CID 110203835) is 1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]ethanone is CC(=O)N1CCCC(Cc2ncc(C)n2C(C)C)C1.
What is the InChIKey of 1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is JJIAHOWJRGVQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(2)18-12(3)9-16-15(18)8-14-6-5-7-17(10-14)13(4)19/h9,11,14H,5-8,10H2,1-4H3.
What are the key properties of 1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]ethanone?
1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 263.38 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110203835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).