tert-butyl 3-(5-amino-1-ethyl-3-methoxycarbonylpyrazol-4-yl)piperidine-1-carboxylate

C17H28N4O4 — CID 165475381

IUPACtert-butyl 3-(5-amino-1-ethyl-3-methoxycarbonylpyrazol-4-yl)piperidine-1-carboxylate
SMILESCCn1nc(C(=O)OC)c(C2CCCN(C(=O)OC(C)(C)C)C2)c1N
InChIInChI=1S/C17H28N4O4/c1-6-21-14(18)12(13(19-21)15(22)24-5)11-8-7-9-20(10-11)16(23)25-17(2,3)4/h11H,6-10,18H2,1-5H3
InChIKeyVJYSOPWKMMHTGN-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.39
Rot. Bonds3

About tert-butyl 3-(5-amino-1-ethyl-3-methoxycarbonylpyrazol-4-yl)piperidine-1-carboxylate

tert-butyl 3-(5-amino-1-ethyl-3-methoxycarbonylpyrazol-4-yl)piperidine-1-carboxylate (PubChem CID 165475381) has the molecular formula C17H28N4O4 and a molecular weight of 352.44 g/mol. Its IUPAC name is tert-butyl 3-(5-amino-1-ethyl-3-methoxycarbonylpyrazol-4-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(5-amino-1-ethyl-3-methoxycarbonylpyrazol-4-yl)piperidine-1-carboxylate
PubChem CID165475381
Molecular FormulaC17H28N4O4
Molecular Weight352.44 g/mol
Exact Mass352.21
IUPAC Nametert-butyl 3-(5-amino-1-ethyl-3-methoxycarbonylpyrazol-4-yl)piperidine-1-carboxylate
SMILESCCn1nc(C(=O)OC)c(C2CCCN(C(=O)OC(C)(C)C)C2)c1N
InChIInChI=1S/C17H28N4O4/c1-6-21-14(18)12(13(19-21)15(22)24-5)11-8-7-9-20(10-11)16(23)25-17(2,3)4/h11H,6-10,18H2,1-5H3
InChIKeyVJYSOPWKMMHTGN-UHFFFAOYSA-N
XLogP2.39
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl 4-(5-amino-3-methoxycarbonyl-1-propylpyrazol-4-yl)piperidine-1-carboxylate
CID 165486035
tert-butyl (3R)-3-(2,6-difluoro-4-methoxycarbonylphenyl)piperidine-1-carboxylate
CID 178074096
ethyl 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,3-oxazole-4-carboxylate
CID 171692284
tert-butyl 3-pyridin-4-ylpiperidine-1-carboxylate
CID 164734560
tert-butyl 3-[(2-methylpropan-2-yl)oxymethyl]piperidine-1-carboxylate
CID 118163740
tert-butyl 3-(6-aminopyridazin-3-yl)piperidine-1-carboxylate
CID 172992144
tert-butyl (3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate
CID 124508791
tert-butyl 3-(5-amino-6-methoxy-2-pyridinyl)piperidine-1-carboxylate
CID 170118913
tert-butyl (3R)-3-(4-methoxycarbonyl-3-methylphenyl)piperidine-1-carboxylate
CID 176562810
tert-butyl 3-(carbamoylamino)piperidine-1-carboxylate
CID 22357480
tert-butyl (3R)-3-[(2-methoxyacetyl)amino]piperidine-1-carboxylate
CID 53256453
methyl 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]carbamoylamino]pyridine-2-carboxylate
CID 139533668

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(5-amino-1-ethyl-3-methoxycarbonylpyrazol-4-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(5-amino-1-ethyl-3-methoxycarbonylpyrazol-4-yl)piperidine-1-carboxylate (CID 165475381) is tert-butyl 3-(5-amino-1-ethyl-3-methoxycarbonylpyrazol-4-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(5-amino-1-ethyl-3-methoxycarbonylpyrazol-4-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(5-amino-1-ethyl-3-methoxycarbonylpyrazol-4-yl)piperidine-1-carboxylate is CCn1nc(C(=O)OC)c(C2CCCN(C(=O)OC(C)(C)C)C2)c1N.
What is the InChIKey of tert-butyl 3-(5-amino-1-ethyl-3-methoxycarbonylpyrazol-4-yl)piperidine-1-carboxylate?
The InChIKey is VJYSOPWKMMHTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O4/c1-6-21-14(18)12(13(19-21)15(22)24-5)11-8-7-9-20(10-11)16(23)25-17(2,3)4/h11H,6-10,18H2,1-5H3.
What are the key properties of tert-butyl 3-(5-amino-1-ethyl-3-methoxycarbonylpyrazol-4-yl)piperidine-1-carboxylate?
tert-butyl 3-(5-amino-1-ethyl-3-methoxycarbonylpyrazol-4-yl)piperidine-1-carboxylate has a molecular weight of 352.44 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(5-amino-1-ethyl-3-methoxycarbonylpyrazol-4-yl)piperidine-1-carboxylate is sourced from PubChem (CID 165475381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).