tert-butyl 4-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperazine-1-carboxylate

C16H27N3O4 — CID 23081560

IUPACtert-butyl 4-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CC(=O)N2CCC(=O)CC2)CC1
InChIInChI=1S/C16H27N3O4/c1-16(2,3)23-15(22)19-10-8-17(9-11-19)12-14(21)18-6-4-13(20)5-7-18/h4-12H2,1-3H3
InChIKeyGSGQPJXZHIWPKP-UHFFFAOYSA-N
MW325.41 g/mol
LogP0.73
Rot. Bonds2

About tert-butyl 4-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperazine-1-carboxylate

tert-butyl 4-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperazine-1-carboxylate (PubChem CID 23081560) has the molecular formula C16H27N3O4 and a molecular weight of 325.41 g/mol. Its IUPAC name is tert-butyl 4-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperazine-1-carboxylate
PubChem CID23081560
Molecular FormulaC16H27N3O4
Molecular Weight325.41 g/mol
Exact Mass325.20
IUPAC Nametert-butyl 4-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CC(=O)N2CCC(=O)CC2)CC1
InChIInChI=1S/C16H27N3O4/c1-16(2,3)23-15(22)19-10-8-17(9-11-19)12-14(21)18-6-4-13(20)5-7-18/h4-12H2,1-3H3
InChIKeyGSGQPJXZHIWPKP-UHFFFAOYSA-N
XLogP0.73
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperazine-1-carboxylate (CID 23081560) is tert-butyl 4-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCC(=O)CC2)CC1.
What is the InChIKey of tert-butyl 4-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperazine-1-carboxylate?
The InChIKey is GSGQPJXZHIWPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4/c1-16(2,3)23-15(22)19-10-8-17(9-11-19)12-14(21)18-6-4-13(20)5-7-18/h4-12H2,1-3H3.
What are the key properties of tert-butyl 4-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperazine-1-carboxylate?
tert-butyl 4-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperazine-1-carboxylate has a molecular weight of 325.41 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 23081560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).