tert-butyl 2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]acetate

C14H27N3O3 — CID 63253049

IUPACtert-butyl 2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]acetate
SMILESCC(C)(C)OC(=O)CN1CCCC(C(=O)NCCN)C1
InChIInChI=1S/C14H27N3O3/c1-14(2,3)20-12(18)10-17-8-4-5-11(9-17)13(19)16-7-6-15/h11H,4-10,15H2,1-3H3,(H,16,19)
InChIKeyWMYDJALSSFGDEF-UHFFFAOYSA-N
MW285.39 g/mol
LogP0.12
Rot. Bonds5

About tert-butyl 2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]acetate

tert-butyl 2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]acetate (PubChem CID 63253049) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is tert-butyl 2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]acetate
PubChem CID63253049
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Nametert-butyl 2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]acetate
SMILESCC(C)(C)OC(=O)CN1CCCC(C(=O)NCCN)C1
InChIInChI=1S/C14H27N3O3/c1-14(2,3)20-12(18)10-17-8-4-5-11(9-17)13(19)16-7-6-15/h11H,4-10,15H2,1-3H3,(H,16,19)
InChIKeyWMYDJALSSFGDEF-UHFFFAOYSA-N
XLogP0.12
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]acetate?
The IUPAC name of tert-butyl 2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]acetate (CID 63253049) is tert-butyl 2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]acetate.
What is the SMILES notation for tert-butyl 2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]acetate?
The canonical SMILES for tert-butyl 2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]acetate is CC(C)(C)OC(=O)CN1CCCC(C(=O)NCCN)C1.
What is the InChIKey of tert-butyl 2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]acetate?
The InChIKey is WMYDJALSSFGDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-14(2,3)20-12(18)10-17-8-4-5-11(9-17)13(19)16-7-6-15/h11H,4-10,15H2,1-3H3,(H,16,19).
What are the key properties of tert-butyl 2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]acetate?
tert-butyl 2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]acetate has a molecular weight of 285.39 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]acetate is sourced from PubChem (CID 63253049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).