tert-butyl 4-[(5-ethoxycarbonyl-1H-imidazole-4-carbonyl)amino]piperidine-1-carboxylate

C17H26N4O5 — CID 42628380

IUPACtert-butyl 4-[(5-ethoxycarbonyl-1H-imidazole-4-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)c1[nH]cnc1C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H26N4O5/c1-5-25-15(23)13-12(18-10-19-13)14(22)20-11-6-8-21(9-7-11)16(24)26-17(2,3)4/h10-11H,5-9H2,1-4H3,(H,18,19)(H,20,22)
InChIKeyPLKSFBXHRNGZIX-UHFFFAOYSA-N
MW366.42 g/mol
LogP1.72
Rot. Bonds4

About tert-butyl 4-[(5-ethoxycarbonyl-1H-imidazole-4-carbonyl)amino]piperidine-1-carboxylate

tert-butyl 4-[(5-ethoxycarbonyl-1H-imidazole-4-carbonyl)amino]piperidine-1-carboxylate (PubChem CID 42628380) has the molecular formula C17H26N4O5 and a molecular weight of 366.42 g/mol. Its IUPAC name is tert-butyl 4-[(5-ethoxycarbonyl-1H-imidazole-4-carbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(5-ethoxycarbonyl-1H-imidazole-4-carbonyl)amino]piperidine-1-carboxylate
PubChem CID42628380
Molecular FormulaC17H26N4O5
Molecular Weight366.42 g/mol
Exact Mass366.19
IUPAC Nametert-butyl 4-[(5-ethoxycarbonyl-1H-imidazole-4-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)c1[nH]cnc1C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H26N4O5/c1-5-25-15(23)13-12(18-10-19-13)14(22)20-11-6-8-21(9-7-11)16(24)26-17(2,3)4/h10-11H,5-9H2,1-4H3,(H,18,19)(H,20,22)
InChIKeyPLKSFBXHRNGZIX-UHFFFAOYSA-N
XLogP1.72
TPSA113.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(5-ethoxycarbonyl-1H-imidazole-4-carbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(5-ethoxycarbonyl-1H-imidazole-4-carbonyl)amino]piperidine-1-carboxylate (CID 42628380) is tert-butyl 4-[(5-ethoxycarbonyl-1H-imidazole-4-carbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(5-ethoxycarbonyl-1H-imidazole-4-carbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(5-ethoxycarbonyl-1H-imidazole-4-carbonyl)amino]piperidine-1-carboxylate is CCOC(=O)c1[nH]cnc1C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[(5-ethoxycarbonyl-1H-imidazole-4-carbonyl)amino]piperidine-1-carboxylate?
The InChIKey is PLKSFBXHRNGZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O5/c1-5-25-15(23)13-12(18-10-19-13)14(22)20-11-6-8-21(9-7-11)16(24)26-17(2,3)4/h10-11H,5-9H2,1-4H3,(H,18,19)(H,20,22).
What are the key properties of tert-butyl 4-[(5-ethoxycarbonyl-1H-imidazole-4-carbonyl)amino]piperidine-1-carboxylate?
tert-butyl 4-[(5-ethoxycarbonyl-1H-imidazole-4-carbonyl)amino]piperidine-1-carboxylate has a molecular weight of 366.42 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(5-ethoxycarbonyl-1H-imidazole-4-carbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 42628380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).