[1-(2-acetyloxyacetyl)piperidin-4-yl]methyl imidazole-1-carboxylate

C14H19N3O5 — CID 153315357

IUPAC[1-(2-acetyloxyacetyl)piperidin-4-yl]methyl imidazole-1-carboxylate
SMILESCC(=O)OCC(=O)N1CCC(COC(=O)n2ccnc2)CC1
InChIInChI=1S/C14H19N3O5/c1-11(18)21-9-13(19)16-5-2-12(3-6-16)8-22-14(20)17-7-4-15-10-17/h4,7,10,12H,2-3,5-6,8-9H2,1H3
InChIKeyLDZFVOBGNAZWCG-UHFFFAOYSA-N
MW309.32 g/mol
LogP0.67
Rot. Bonds4

About [1-(2-acetyloxyacetyl)piperidin-4-yl]methyl imidazole-1-carboxylate

[1-(2-acetyloxyacetyl)piperidin-4-yl]methyl imidazole-1-carboxylate (PubChem CID 153315357) has the molecular formula C14H19N3O5 and a molecular weight of 309.32 g/mol. Its IUPAC name is [1-(2-acetyloxyacetyl)piperidin-4-yl]methyl imidazole-1-carboxylate.

Molecular Properties

Compound Name[1-(2-acetyloxyacetyl)piperidin-4-yl]methyl imidazole-1-carboxylate
PubChem CID153315357
Molecular FormulaC14H19N3O5
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC Name[1-(2-acetyloxyacetyl)piperidin-4-yl]methyl imidazole-1-carboxylate
SMILESCC(=O)OCC(=O)N1CCC(COC(=O)n2ccnc2)CC1
InChIInChI=1S/C14H19N3O5/c1-11(18)21-9-13(19)16-5-2-12(3-6-16)8-22-14(20)17-7-4-15-10-17/h4,7,10,12H,2-3,5-6,8-9H2,1H3
InChIKeyLDZFVOBGNAZWCG-UHFFFAOYSA-N
XLogP0.67
TPSA90.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(2-acetyloxyacetyl)piperidin-4-yl]methyl imidazole-1-carboxylate?
The IUPAC name of [1-(2-acetyloxyacetyl)piperidin-4-yl]methyl imidazole-1-carboxylate (CID 153315357) is [1-(2-acetyloxyacetyl)piperidin-4-yl]methyl imidazole-1-carboxylate.
What is the SMILES notation for [1-(2-acetyloxyacetyl)piperidin-4-yl]methyl imidazole-1-carboxylate?
The canonical SMILES for [1-(2-acetyloxyacetyl)piperidin-4-yl]methyl imidazole-1-carboxylate is CC(=O)OCC(=O)N1CCC(COC(=O)n2ccnc2)CC1.
What is the InChIKey of [1-(2-acetyloxyacetyl)piperidin-4-yl]methyl imidazole-1-carboxylate?
The InChIKey is LDZFVOBGNAZWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O5/c1-11(18)21-9-13(19)16-5-2-12(3-6-16)8-22-14(20)17-7-4-15-10-17/h4,7,10,12H,2-3,5-6,8-9H2,1H3.
What are the key properties of [1-(2-acetyloxyacetyl)piperidin-4-yl]methyl imidazole-1-carboxylate?
[1-(2-acetyloxyacetyl)piperidin-4-yl]methyl imidazole-1-carboxylate has a molecular weight of 309.32 g/mol, XLogP of 0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-acetyloxyacetyl)piperidin-4-yl]methyl imidazole-1-carboxylate is sourced from PubChem (CID 153315357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).