methyl N-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]carbamate

C12H18N4O3 — CID 70708569

IUPACmethyl N-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]carbamate
SMILESCOC(=O)NCC(=O)N1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C12H18N4O3/c1-19-12(18)15-7-10(17)16-6-2-3-9(8-16)11-13-4-5-14-11/h4-5,9H,2-3,6-8H2,1H3,(H,13,14)(H,15,18)
InChIKeyVEAIXGNGSPREMK-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.47
Rot. Bonds3

About methyl N-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]carbamate

methyl N-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]carbamate (PubChem CID 70708569) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl N-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]carbamate
PubChem CID70708569
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Namemethyl N-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]carbamate
SMILESCOC(=O)NCC(=O)N1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C12H18N4O3/c1-19-12(18)15-7-10(17)16-6-2-3-9(8-16)11-13-4-5-14-11/h4-5,9H,2-3,6-8H2,1H3,(H,13,14)(H,15,18)
InChIKeyVEAIXGNGSPREMK-UHFFFAOYSA-N
XLogP0.47
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]carbamate?
The IUPAC name of methyl N-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]carbamate (CID 70708569) is methyl N-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]carbamate.
What is the SMILES notation for methyl N-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]carbamate?
The canonical SMILES for methyl N-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]carbamate is COC(=O)NCC(=O)N1CCCC(c2ncc[nH]2)C1.
What is the InChIKey of methyl N-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]carbamate?
The InChIKey is VEAIXGNGSPREMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-19-12(18)15-7-10(17)16-6-2-3-9(8-16)11-13-4-5-14-11/h4-5,9H,2-3,6-8H2,1H3,(H,13,14)(H,15,18).
What are the key properties of methyl N-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]carbamate?
methyl N-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]carbamate has a molecular weight of 266.30 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]carbamate is sourced from PubChem (CID 70708569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).