tert-butyl 4-[2-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]piperazine-1-carboxylate

C18H36N4O4 — CID 67575915

IUPACtert-butyl 4-[2-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N(CCN)CCN1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H36N4O4/c1-17(2,3)25-15(23)21(8-7-19)12-9-20-10-13-22(14-11-20)16(24)26-18(4,5)6/h7-14,19H2,1-6H3
InChIKeyOUVAGCCUDURMGF-UHFFFAOYSA-N
MW372.51 g/mol
LogP1.73
Rot. Bonds5

About tert-butyl 4-[2-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]piperazine-1-carboxylate

tert-butyl 4-[2-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]piperazine-1-carboxylate (PubChem CID 67575915) has the molecular formula C18H36N4O4 and a molecular weight of 372.51 g/mol. Its IUPAC name is tert-butyl 4-[2-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]piperazine-1-carboxylate
PubChem CID67575915
Molecular FormulaC18H36N4O4
Molecular Weight372.51 g/mol
Exact Mass372.27
IUPAC Nametert-butyl 4-[2-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N(CCN)CCN1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H36N4O4/c1-17(2,3)25-15(23)21(8-7-19)12-9-20-10-13-22(14-11-20)16(24)26-18(4,5)6/h7-14,19H2,1-6H3
InChIKeyOUVAGCCUDURMGF-UHFFFAOYSA-N
XLogP1.73
TPSA88.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]piperazine-1-carboxylate (CID 67575915) is tert-butyl 4-[2-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N(CCN)CCN1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[2-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]piperazine-1-carboxylate?
The InChIKey is OUVAGCCUDURMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O4/c1-17(2,3)25-15(23)21(8-7-19)12-9-20-10-13-22(14-11-20)16(24)26-18(4,5)6/h7-14,19H2,1-6H3.
What are the key properties of tert-butyl 4-[2-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]piperazine-1-carboxylate?
tert-butyl 4-[2-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]piperazine-1-carboxylate has a molecular weight of 372.51 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 67575915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).