tert-butyl 4-(2,5-dioxopiperazin-1-yl)piperidine-1-carboxylate

C14H23N3O4 — CID 18971587

IUPACtert-butyl 4-(2,5-dioxopiperazin-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2CC(=O)NCC2=O)CC1
InChIInChI=1S/C14H23N3O4/c1-14(2,3)21-13(20)16-6-4-10(5-7-16)17-9-11(18)15-8-12(17)19/h10H,4-9H2,1-3H3,(H,15,18)
InChIKeyXPZCEWZMMCPCFL-UHFFFAOYSA-N
MW297.35 g/mol
LogP0.34
Rot. Bonds1

About tert-butyl 4-(2,5-dioxopiperazin-1-yl)piperidine-1-carboxylate

tert-butyl 4-(2,5-dioxopiperazin-1-yl)piperidine-1-carboxylate (PubChem CID 18971587) has the molecular formula C14H23N3O4 and a molecular weight of 297.35 g/mol. Its IUPAC name is tert-butyl 4-(2,5-dioxopiperazin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2,5-dioxopiperazin-1-yl)piperidine-1-carboxylate
PubChem CID18971587
Molecular FormulaC14H23N3O4
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC Nametert-butyl 4-(2,5-dioxopiperazin-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2CC(=O)NCC2=O)CC1
InChIInChI=1S/C14H23N3O4/c1-14(2,3)21-13(20)16-6-4-10(5-7-16)17-9-11(18)15-8-12(17)19/h10H,4-9H2,1-3H3,(H,15,18)
InChIKeyXPZCEWZMMCPCFL-UHFFFAOYSA-N
XLogP0.34
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2,5-dioxopiperazin-1-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2,5-dioxopiperazin-1-yl)piperidine-1-carboxylate (CID 18971587) is tert-butyl 4-(2,5-dioxopiperazin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2,5-dioxopiperazin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2,5-dioxopiperazin-1-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N2CC(=O)NCC2=O)CC1.
What is the InChIKey of tert-butyl 4-(2,5-dioxopiperazin-1-yl)piperidine-1-carboxylate?
The InChIKey is XPZCEWZMMCPCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-14(2,3)21-13(20)16-6-4-10(5-7-16)17-9-11(18)15-8-12(17)19/h10H,4-9H2,1-3H3,(H,15,18).
What are the key properties of tert-butyl 4-(2,5-dioxopiperazin-1-yl)piperidine-1-carboxylate?
tert-butyl 4-(2,5-dioxopiperazin-1-yl)piperidine-1-carboxylate has a molecular weight of 297.35 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2,5-dioxopiperazin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 18971587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).