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

C12H18N4O3 — CID 135337374

IUPAC[1-(methylcarbamoyl)piperidin-4-yl]methyl imidazole-1-carboxylate
SMILESCNC(=O)N1CCC(COC(=O)n2ccnc2)CC1
InChIInChI=1S/C12H18N4O3/c1-13-11(17)15-5-2-10(3-6-15)8-19-12(18)16-7-4-14-9-16/h4,7,9-10H,2-3,5-6,8H2,1H3,(H,13,17)
InChIKeyWFAVFZYLRVIGCC-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.92
Rot. Bonds2

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

[1-(methylcarbamoyl)piperidin-4-yl]methyl imidazole-1-carboxylate (PubChem CID 135337374) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is [1-(methylcarbamoyl)piperidin-4-yl]methyl imidazole-1-carboxylate.

Molecular Properties

Compound Name[1-(methylcarbamoyl)piperidin-4-yl]methyl imidazole-1-carboxylate
PubChem CID135337374
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name[1-(methylcarbamoyl)piperidin-4-yl]methyl imidazole-1-carboxylate
SMILESCNC(=O)N1CCC(COC(=O)n2ccnc2)CC1
InChIInChI=1S/C12H18N4O3/c1-13-11(17)15-5-2-10(3-6-15)8-19-12(18)16-7-4-14-9-16/h4,7,9-10H,2-3,5-6,8H2,1H3,(H,13,17)
InChIKeyWFAVFZYLRVIGCC-UHFFFAOYSA-N
XLogP0.92
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(methylcarbamoyl)piperidin-4-yl]methyl imidazole-1-carboxylate?
The IUPAC name of [1-(methylcarbamoyl)piperidin-4-yl]methyl imidazole-1-carboxylate (CID 135337374) is [1-(methylcarbamoyl)piperidin-4-yl]methyl imidazole-1-carboxylate.
What is the SMILES notation for [1-(methylcarbamoyl)piperidin-4-yl]methyl imidazole-1-carboxylate?
The canonical SMILES for [1-(methylcarbamoyl)piperidin-4-yl]methyl imidazole-1-carboxylate is CNC(=O)N1CCC(COC(=O)n2ccnc2)CC1.
What is the InChIKey of [1-(methylcarbamoyl)piperidin-4-yl]methyl imidazole-1-carboxylate?
The InChIKey is WFAVFZYLRVIGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-13-11(17)15-5-2-10(3-6-15)8-19-12(18)16-7-4-14-9-16/h4,7,9-10H,2-3,5-6,8H2,1H3,(H,13,17).
What are the key properties of [1-(methylcarbamoyl)piperidin-4-yl]methyl imidazole-1-carboxylate?
[1-(methylcarbamoyl)piperidin-4-yl]methyl imidazole-1-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methylcarbamoyl)piperidin-4-yl]methyl imidazole-1-carboxylate is sourced from PubChem (CID 135337374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).