ethyl 4-(4-methylpiperidine-1-carbonyl)-1H-imidazole-5-carboxylate

C13H19N3O3 — CID 42628381

IUPACethyl 4-(4-methylpiperidine-1-carbonyl)-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1[nH]cnc1C(=O)N1CCC(C)CC1
InChIInChI=1S/C13H19N3O3/c1-3-19-13(18)11-10(14-8-15-11)12(17)16-6-4-9(2)5-7-16/h8-9H,3-7H2,1-2H3,(H,14,15)
InChIKeySFTIGSBVUQTUHH-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.46
Rot. Bonds3

About ethyl 4-(4-methylpiperidine-1-carbonyl)-1H-imidazole-5-carboxylate

ethyl 4-(4-methylpiperidine-1-carbonyl)-1H-imidazole-5-carboxylate (PubChem CID 42628381) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 4-(4-methylpiperidine-1-carbonyl)-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-methylpiperidine-1-carbonyl)-1H-imidazole-5-carboxylate
PubChem CID42628381
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Nameethyl 4-(4-methylpiperidine-1-carbonyl)-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1[nH]cnc1C(=O)N1CCC(C)CC1
InChIInChI=1S/C13H19N3O3/c1-3-19-13(18)11-10(14-8-15-11)12(17)16-6-4-9(2)5-7-16/h8-9H,3-7H2,1-2H3,(H,14,15)
InChIKeySFTIGSBVUQTUHH-UHFFFAOYSA-N
XLogP1.46
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Isopropylcarbamoyl-1H-imidazole-4-carboxylic acid ethyl ester
CID 846245
tert-butyl 4-(5-ethoxycarbonyl-1H-imidazole-4-carbonyl)piperazine-1-carboxylate
CID 42628378
5-Cyclohexylcarbamoyl-1H-imidazole-4-carboxylic acid ethyl ester
CID 649420
tert-butyl (2S)-2-[[5-(4-methylpiperidin-1-yl)carbonyl-1H-imidazol-4-yl]carbonylamino]propanoate
CID 16746567
Ilp-II-124
CID 24789502
tert-butyl 4-[(5-ethoxycarbonyl-1H-imidazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 42628380
2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 4-(4-methylpiperidine-1-carbonyl)-1H-imidazole-5-carboxylate
CID 42628389
1H-Imidazole-4-carboxylic acid, 5-morpholinocarbonyl-, ethyl ester
CID 559831
Methyl 6-(cycloheptylcarbamoyl)-7-(3-methoxypropyl)-6-methyl-8-oxo-5H,6H,7H,8H-imidazo[1,5-A]pyrazine-1-carboxylate
CID 11611492
Methyl 6-(cycloheptylcarbamoyl)-6-methyl-8-oxo-7-[3-(propan-2-yloxy)propyl]-5H,6H,7H,8H-imidazo[1,5-A]pyrazine-1-carboxylate
CID 46277653
Methyl 7-cyclopropyl-6-methyl-8-oxo-6-{[3-(propan-2-yloxy)propyl]carbamoyl}-5H,6H,7H,8H-imidazo[1,5-A]pyrazine-1-carboxylate
CID 50794385
5-(Methoxycarbonylmethyl-carbamoyl)-1H-imidazole-4-carboxylic acid, ethyl ester
CID 830054

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-methylpiperidine-1-carbonyl)-1H-imidazole-5-carboxylate?
The IUPAC name of ethyl 4-(4-methylpiperidine-1-carbonyl)-1H-imidazole-5-carboxylate (CID 42628381) is ethyl 4-(4-methylpiperidine-1-carbonyl)-1H-imidazole-5-carboxylate.
What is the SMILES notation for ethyl 4-(4-methylpiperidine-1-carbonyl)-1H-imidazole-5-carboxylate?
The canonical SMILES for ethyl 4-(4-methylpiperidine-1-carbonyl)-1H-imidazole-5-carboxylate is CCOC(=O)c1[nH]cnc1C(=O)N1CCC(C)CC1.
What is the InChIKey of ethyl 4-(4-methylpiperidine-1-carbonyl)-1H-imidazole-5-carboxylate?
The InChIKey is SFTIGSBVUQTUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-19-13(18)11-10(14-8-15-11)12(17)16-6-4-9(2)5-7-16/h8-9H,3-7H2,1-2H3,(H,14,15).
What are the key properties of ethyl 4-(4-methylpiperidine-1-carbonyl)-1H-imidazole-5-carboxylate?
ethyl 4-(4-methylpiperidine-1-carbonyl)-1H-imidazole-5-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-methylpiperidine-1-carbonyl)-1H-imidazole-5-carboxylate is sourced from PubChem (CID 42628381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).