ethyl 5-amino-1-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylimidazole-4-carboxylate

C15H26N4O2 — CID 107165086

IUPACethyl 5-amino-1-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylimidazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)n(CC2(C)CCN(C)CC2)c1N
InChIInChI=1S/C15H26N4O2/c1-5-21-14(20)12-13(16)19(11(2)17-12)10-15(3)6-8-18(4)9-7-15/h5-10,16H2,1-4H3
InChIKeyYDLCREUQOBLQIY-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.68
Rot. Bonds4

About ethyl 5-amino-1-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylimidazole-4-carboxylate

ethyl 5-amino-1-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylimidazole-4-carboxylate (PubChem CID 107165086) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is ethyl 5-amino-1-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylimidazole-4-carboxylate
PubChem CID107165086
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Nameethyl 5-amino-1-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylimidazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)n(CC2(C)CCN(C)CC2)c1N
InChIInChI=1S/C15H26N4O2/c1-5-21-14(20)12-13(16)19(11(2)17-12)10-15(3)6-8-18(4)9-7-15/h5-10,16H2,1-4H3
InChIKeyYDLCREUQOBLQIY-UHFFFAOYSA-N
XLogP1.68
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylimidazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylimidazole-4-carboxylate (CID 107165086) is ethyl 5-amino-1-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylimidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylimidazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylimidazole-4-carboxylate is CCOC(=O)c1nc(C)n(CC2(C)CCN(C)CC2)c1N.
What is the InChIKey of ethyl 5-amino-1-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylimidazole-4-carboxylate?
The InChIKey is YDLCREUQOBLQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-5-21-14(20)12-13(16)19(11(2)17-12)10-15(3)6-8-18(4)9-7-15/h5-10,16H2,1-4H3.
What are the key properties of ethyl 5-amino-1-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylimidazole-4-carboxylate?
ethyl 5-amino-1-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylimidazole-4-carboxylate has a molecular weight of 294.40 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylimidazole-4-carboxylate is sourced from PubChem (CID 107165086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).