ethyl 4-amino-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1H-imidazole-5-carboxylate

C16H27N5O4 — CID 142775413

IUPACethyl 4-amino-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1[nH]c(N2CCCC(NC(=O)OC(C)(C)C)C2)nc1N
InChIInChI=1S/C16H27N5O4/c1-5-24-13(22)11-12(17)20-14(19-11)21-8-6-7-10(9-21)18-15(23)25-16(2,3)4/h10H,5-9,17H2,1-4H3,(H,18,23)(H,19,20)
InChIKeyJLBOFJKNXWNWQJ-UHFFFAOYSA-N
MW353.42 g/mol
LogP1.66
Rot. Bonds4

About ethyl 4-amino-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1H-imidazole-5-carboxylate

ethyl 4-amino-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1H-imidazole-5-carboxylate (PubChem CID 142775413) has the molecular formula C16H27N5O4 and a molecular weight of 353.42 g/mol. Its IUPAC name is ethyl 4-amino-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1H-imidazole-5-carboxylate
PubChem CID142775413
Molecular FormulaC16H27N5O4
Molecular Weight353.42 g/mol
Exact Mass353.21
IUPAC Nameethyl 4-amino-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1[nH]c(N2CCCC(NC(=O)OC(C)(C)C)C2)nc1N
InChIInChI=1S/C16H27N5O4/c1-5-24-13(22)11-12(17)20-14(19-11)21-8-6-7-10(9-21)18-15(23)25-16(2,3)4/h10H,5-9,17H2,1-4H3,(H,18,23)(H,19,20)
InChIKeyJLBOFJKNXWNWQJ-UHFFFAOYSA-N
XLogP1.66
TPSA122.57 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze ethyl 4-amino-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1H-imidazole-5-carboxylate with MolForge

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Related Compounds

tert-butyl N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]carbamate
CID 137310018
tert-butyl N-[(3R)-1-[3-amino-2-(ethylamino)-6-methyl-4-pyridinyl]piperidin-3-yl]carbamate
CID 70975709
tert-butyl N-[(3S)-1-(3-amino-1,2-dihydropyridin-4-yl)piperidin-3-yl]carbamate
CID 86341624
tert-butyl N-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]carbamate
CID 133482310
ethyl 3-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-3-oxopropanoate
CID 174735969
methyl 4-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]benzoate
CID 90090878
ethane;ethyl 3-[(2-chlorophenyl)methyl]-5-methyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]imidazole-4-carboxylate
CID 143054247
tert-butyl N-[1-(1H-benzimidazol-2-yl)pyrrolidin-3-yl]carbamate
CID 71632096
tert-butyl N-[1-(5-hydroxypyrimidin-2-yl)piperidin-3-yl]carbamate
CID 165437493
ethyl 5-acetyl-3-[(2-chlorophenyl)methyl]-2-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]imidazole-4-carboxylate
CID 58874370
ethyl 5-amino-2-cyclopropyl-3,6-difluoro-4-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]benzoate
CID 151426829
tert-butyl N-[(3R)-1-(5-chloropyrimidin-2-yl)piperidin-3-yl]carbamate
CID 86329478

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1H-imidazole-5-carboxylate?
The IUPAC name of ethyl 4-amino-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1H-imidazole-5-carboxylate (CID 142775413) is ethyl 4-amino-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1H-imidazole-5-carboxylate.
What is the SMILES notation for ethyl 4-amino-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1H-imidazole-5-carboxylate?
The canonical SMILES for ethyl 4-amino-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1H-imidazole-5-carboxylate is CCOC(=O)c1[nH]c(N2CCCC(NC(=O)OC(C)(C)C)C2)nc1N.
What is the InChIKey of ethyl 4-amino-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1H-imidazole-5-carboxylate?
The InChIKey is JLBOFJKNXWNWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O4/c1-5-24-13(22)11-12(17)20-14(19-11)21-8-6-7-10(9-21)18-15(23)25-16(2,3)4/h10H,5-9,17H2,1-4H3,(H,18,23)(H,19,20).
What are the key properties of ethyl 4-amino-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1H-imidazole-5-carboxylate?
ethyl 4-amino-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1H-imidazole-5-carboxylate has a molecular weight of 353.42 g/mol, XLogP of 1.66, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1H-imidazole-5-carboxylate is sourced from PubChem (CID 142775413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).