1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanone

C12H19N3O — CID 110269228

IUPAC1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(Cc2nccn2C)C1
InChIInChI=1S/C12H19N3O/c1-10(16)15-6-3-4-11(9-15)8-12-13-5-7-14(12)2/h5,7,11H,3-4,6,8-9H2,1-2H3
InChIKeyZBOJPFCOQQWBIF-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.22
Rot. Bonds2

About 1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanone

1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 110269228) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanone
PubChem CID110269228
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(Cc2nccn2C)C1
InChIInChI=1S/C12H19N3O/c1-10(16)15-6-3-4-11(9-15)8-12-13-5-7-14(12)2/h5,7,11H,3-4,6,8-9H2,1-2H3
InChIKeyZBOJPFCOQQWBIF-UHFFFAOYSA-N
XLogP1.22
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanone (CID 110269228) is 1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanone is CC(=O)N1CCCC(Cc2nccn2C)C1.
What is the InChIKey of 1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is ZBOJPFCOQQWBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-10(16)15-6-3-4-11(9-15)8-12-13-5-7-14(12)2/h5,7,11H,3-4,6,8-9H2,1-2H3.
What are the key properties of 1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanone?
1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 221.30 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110269228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).