1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-(2-methoxyethoxy)ethanone

C13H21N3O3 — CID 70732754

IUPAC1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-(2-methoxyethoxy)ethanone
SMILESCOCCOCC(=O)N1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C13H21N3O3/c1-18-7-8-19-10-12(17)16-6-2-3-11(9-16)13-14-4-5-15-13/h4-5,11H,2-3,6-10H2,1H3,(H,14,15)
InChIKeyLSNKVEGIWXFJJI-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.78
Rot. Bonds6

About 1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-(2-methoxyethoxy)ethanone

1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-(2-methoxyethoxy)ethanone (PubChem CID 70732754) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-(2-methoxyethoxy)ethanone.

Molecular Properties

Compound Name1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-(2-methoxyethoxy)ethanone
PubChem CID70732754
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-(2-methoxyethoxy)ethanone
SMILESCOCCOCC(=O)N1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C13H21N3O3/c1-18-7-8-19-10-12(17)16-6-2-3-11(9-16)13-14-4-5-15-13/h4-5,11H,2-3,6-10H2,1H3,(H,14,15)
InChIKeyLSNKVEGIWXFJJI-UHFFFAOYSA-N
XLogP0.78
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-(2-methoxyethoxy)ethanone?
The IUPAC name of 1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-(2-methoxyethoxy)ethanone (CID 70732754) is 1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-(2-methoxyethoxy)ethanone.
What is the SMILES notation for 1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-(2-methoxyethoxy)ethanone?
The canonical SMILES for 1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-(2-methoxyethoxy)ethanone is COCCOCC(=O)N1CCCC(c2ncc[nH]2)C1.
What is the InChIKey of 1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-(2-methoxyethoxy)ethanone?
The InChIKey is LSNKVEGIWXFJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-18-7-8-19-10-12(17)16-6-2-3-11(9-16)13-14-4-5-15-13/h4-5,11H,2-3,6-10H2,1H3,(H,14,15).
What are the key properties of 1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-(2-methoxyethoxy)ethanone?
1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-(2-methoxyethoxy)ethanone has a molecular weight of 267.33 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-(2-methoxyethoxy)ethanone is sourced from PubChem (CID 70732754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).