methyl 5-amino-1-(2-piperidin-1-ylpropyl)imidazole-4-carboxylate

C13H22N4O2 — CID 103545212

IUPACmethyl 5-amino-1-(2-piperidin-1-ylpropyl)imidazole-4-carboxylate
SMILESCOC(=O)c1ncn(CC(C)N2CCCCC2)c1N
InChIInChI=1S/C13H22N4O2/c1-10(16-6-4-3-5-7-16)8-17-9-15-11(12(17)14)13(18)19-2/h9-10H,3-8,14H2,1-2H3
InChIKeyGDLACVRBUFUVAP-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.13
Rot. Bonds4

About methyl 5-amino-1-(2-piperidin-1-ylpropyl)imidazole-4-carboxylate

methyl 5-amino-1-(2-piperidin-1-ylpropyl)imidazole-4-carboxylate (PubChem CID 103545212) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl 5-amino-1-(2-piperidin-1-ylpropyl)imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-(2-piperidin-1-ylpropyl)imidazole-4-carboxylate
PubChem CID103545212
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Namemethyl 5-amino-1-(2-piperidin-1-ylpropyl)imidazole-4-carboxylate
SMILESCOC(=O)c1ncn(CC(C)N2CCCCC2)c1N
InChIInChI=1S/C13H22N4O2/c1-10(16-6-4-3-5-7-16)8-17-9-15-11(12(17)14)13(18)19-2/h9-10H,3-8,14H2,1-2H3
InChIKeyGDLACVRBUFUVAP-UHFFFAOYSA-N
XLogP1.13
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-amino-1-(2,3-dimethylbutyl)imidazole-4-carboxylate
CID 103545613
methyl 5-amino-1-(2-methyl-3-methylsulfanylpropyl)imidazole-4-carboxylate
CID 103545538
methyl 5-amino-1-(2-phenylpropyl)imidazole-4-carboxylate
CID 103546066
methyl 5-amino-1-[(2-methylcyclopropyl)methyl]imidazole-4-carboxylate
CID 103546094
methyl 5-amino-1-(1-methylsulfinylpropan-2-yl)imidazole-4-carboxylate
CID 103546168
ethyl 5-amino-1-(2-pyrrolidin-1-ylethyl)imidazole-4-carboxylate
CID 55102206
methyl 5-amino-1-(2-ethoxy-2-oxoethyl)imidazole-4-carboxylate
CID 103544849
methyl 5-amino-1-pent-3-ynylimidazole-4-carboxylate
CID 103546247
methyl 5-amino-1-[2-(2,2-difluoroethoxy)ethyl]imidazole-4-carboxylate
CID 114128436
methyl 5-amino-1-(1-methylcyclohexyl)imidazole-4-carboxylate
CID 103545225
methyl 5-amino-1-[2-(1,3-thiazol-2-yl)ethyl]imidazole-4-carboxylate
CID 103545450
methyl 5-amino-1-[3-(tert-butylamino)-3-oxopropyl]imidazole-4-carboxylate
CID 103546039

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-(2-piperidin-1-ylpropyl)imidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-1-(2-piperidin-1-ylpropyl)imidazole-4-carboxylate (CID 103545212) is methyl 5-amino-1-(2-piperidin-1-ylpropyl)imidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-1-(2-piperidin-1-ylpropyl)imidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-1-(2-piperidin-1-ylpropyl)imidazole-4-carboxylate is COC(=O)c1ncn(CC(C)N2CCCCC2)c1N.
What is the InChIKey of methyl 5-amino-1-(2-piperidin-1-ylpropyl)imidazole-4-carboxylate?
The InChIKey is GDLACVRBUFUVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-10(16-6-4-3-5-7-16)8-17-9-15-11(12(17)14)13(18)19-2/h9-10H,3-8,14H2,1-2H3.
What are the key properties of methyl 5-amino-1-(2-piperidin-1-ylpropyl)imidazole-4-carboxylate?
methyl 5-amino-1-(2-piperidin-1-ylpropyl)imidazole-4-carboxylate has a molecular weight of 266.34 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1-(2-piperidin-1-ylpropyl)imidazole-4-carboxylate is sourced from PubChem (CID 103545212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).