tert-butyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]imidazole-4-carbonyl]piperidine-1-carboxylate

C19H29N3O5 — CID 11337952

IUPACtert-butyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]imidazole-4-carbonyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)c2cn(C(=O)OC(C)(C)C)cn2)CC1
InChIInChI=1S/C19H29N3O5/c1-18(2,3)26-16(24)21-9-7-13(8-10-21)15(23)14-11-22(12-20-14)17(25)27-19(4,5)6/h11-13H,7-10H2,1-6H3
InChIKeyFPIFWACOAYGZQP-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.50
Rot. Bonds2

About tert-butyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]imidazole-4-carbonyl]piperidine-1-carboxylate

tert-butyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]imidazole-4-carbonyl]piperidine-1-carboxylate (PubChem CID 11337952) has the molecular formula C19H29N3O5 and a molecular weight of 379.46 g/mol. Its IUPAC name is tert-butyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]imidazole-4-carbonyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]imidazole-4-carbonyl]piperidine-1-carboxylate
PubChem CID11337952
Molecular FormulaC19H29N3O5
Molecular Weight379.46 g/mol
Exact Mass379.21
IUPAC Nametert-butyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]imidazole-4-carbonyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)c2cn(C(=O)OC(C)(C)C)cn2)CC1
InChIInChI=1S/C19H29N3O5/c1-18(2,3)26-16(24)21-9-7-13(8-10-21)15(23)14-11-22(12-20-14)17(25)27-19(4,5)6/h11-13H,7-10H2,1-6H3
InChIKeyFPIFWACOAYGZQP-UHFFFAOYSA-N
XLogP3.50
TPSA90.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]imidazole-4-carbonyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]imidazole-4-carbonyl]piperidine-1-carboxylate (CID 11337952) is tert-butyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]imidazole-4-carbonyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]imidazole-4-carbonyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]imidazole-4-carbonyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(=O)c2cn(C(=O)OC(C)(C)C)cn2)CC1.
What is the InChIKey of tert-butyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]imidazole-4-carbonyl]piperidine-1-carboxylate?
The InChIKey is FPIFWACOAYGZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O5/c1-18(2,3)26-16(24)21-9-7-13(8-10-21)15(23)14-11-22(12-20-14)17(25)27-19(4,5)6/h11-13H,7-10H2,1-6H3.
What are the key properties of tert-butyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]imidazole-4-carbonyl]piperidine-1-carboxylate?
tert-butyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]imidazole-4-carbonyl]piperidine-1-carboxylate has a molecular weight of 379.46 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]imidazole-4-carbonyl]piperidine-1-carboxylate is sourced from PubChem (CID 11337952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).