ethyl 3-(2-methylpiperidin-4-yl)imidazole-4-carboxylate

C12H19N3O2 — CID 106996431

IUPACethyl 3-(2-methylpiperidin-4-yl)imidazole-4-carboxylate
SMILESCCOC(=O)c1cncn1C1CCNC(C)C1
InChIInChI=1S/C12H19N3O2/c1-3-17-12(16)11-7-13-8-15(11)10-4-5-14-9(2)6-10/h7-10,14H,3-6H2,1-2H3
InChIKeyDUZDYYOKAKVZHG-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.37
Rot. Bonds3

About ethyl 3-(2-methylpiperidin-4-yl)imidazole-4-carboxylate

ethyl 3-(2-methylpiperidin-4-yl)imidazole-4-carboxylate (PubChem CID 106996431) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is ethyl 3-(2-methylpiperidin-4-yl)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-methylpiperidin-4-yl)imidazole-4-carboxylate
PubChem CID106996431
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Nameethyl 3-(2-methylpiperidin-4-yl)imidazole-4-carboxylate
SMILESCCOC(=O)c1cncn1C1CCNC(C)C1
InChIInChI=1S/C12H19N3O2/c1-3-17-12(16)11-7-13-8-15(11)10-4-5-14-9(2)6-10/h7-10,14H,3-6H2,1-2H3
InChIKeyDUZDYYOKAKVZHG-UHFFFAOYSA-N
XLogP1.37
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 4(5)-imidazolecarboxylate
CID 99170
Methyl 1-methyl-1H-imidazole-5-carboxylate
CID 2736896
ethyl 2-methyl-1H-imidazole-4-carboxylate
CID 572715
Ethyl 2-amino-1H-imidazole-5-carboxylate
CID 573233
Methyl 1-methyl-1H-imidazole-4-carboxylate
CID 2773510
2-Amino-3-methyl-3H-imidazole-4-carboxylic acid ethyl ester
CID 21503744
ethyl 5H,6H,7H,8H-imidazo(1,2-a)pyrimidine-2-carboxylate
CID 135779061
2-Amino-3-methyl-3H-imidazole-4-carboxylic acid methyl ester
CID 327546
1-[1-(1-Hydroxy-ethyl)-heptyl]-1H-imidazole-4-carboxylic acid ethyl ester
CID 14888740
ethyl 5-amino-1-(piperidin-4-yl)-1H-imidazole-4-carboxylate
CID 86775501
ethyl 5H,6H,7H,8H-imidazo[1,2-a]pyridine-2-carboxylate
CID 12745958
ethyl 2-bromo-1-methyl-1H-imidazole-4-carboxylate
CID 117721100

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-methylpiperidin-4-yl)imidazole-4-carboxylate?
The IUPAC name of ethyl 3-(2-methylpiperidin-4-yl)imidazole-4-carboxylate (CID 106996431) is ethyl 3-(2-methylpiperidin-4-yl)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 3-(2-methylpiperidin-4-yl)imidazole-4-carboxylate?
The canonical SMILES for ethyl 3-(2-methylpiperidin-4-yl)imidazole-4-carboxylate is CCOC(=O)c1cncn1C1CCNC(C)C1.
What is the InChIKey of ethyl 3-(2-methylpiperidin-4-yl)imidazole-4-carboxylate?
The InChIKey is DUZDYYOKAKVZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-17-12(16)11-7-13-8-15(11)10-4-5-14-9(2)6-10/h7-10,14H,3-6H2,1-2H3.
What are the key properties of ethyl 3-(2-methylpiperidin-4-yl)imidazole-4-carboxylate?
ethyl 3-(2-methylpiperidin-4-yl)imidazole-4-carboxylate has a molecular weight of 237.30 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-methylpiperidin-4-yl)imidazole-4-carboxylate is sourced from PubChem (CID 106996431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).