tert-butyl 1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1,4-diazaspiro[5.5]undecane-4-carboxylate

C20H34N4O4 — CID 71866190

IUPACtert-butyl 1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1,4-diazaspiro[5.5]undecane-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CC(=O)N2CCNC(=O)C2)C2(CCCCC2)C1
InChIInChI=1S/C20H34N4O4/c1-19(2,3)28-18(27)23-11-12-24(20(15-23)7-5-4-6-8-20)14-17(26)22-10-9-21-16(25)13-22/h4-15H2,1-3H3,(H,21,25)
InChIKeyNZIQVVKHTVQETO-UHFFFAOYSA-N
MW394.52 g/mol
LogP1.20
Rot. Bonds2

About tert-butyl 1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1,4-diazaspiro[5.5]undecane-4-carboxylate

tert-butyl 1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1,4-diazaspiro[5.5]undecane-4-carboxylate (PubChem CID 71866190) has the molecular formula C20H34N4O4 and a molecular weight of 394.52 g/mol. Its IUPAC name is tert-butyl 1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1,4-diazaspiro[5.5]undecane-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1,4-diazaspiro[5.5]undecane-4-carboxylate
PubChem CID71866190
Molecular FormulaC20H34N4O4
Molecular Weight394.52 g/mol
Exact Mass394.26
IUPAC Nametert-butyl 1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1,4-diazaspiro[5.5]undecane-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CC(=O)N2CCNC(=O)C2)C2(CCCCC2)C1
InChIInChI=1S/C20H34N4O4/c1-19(2,3)28-18(27)23-11-12-24(20(15-23)7-5-4-6-8-20)14-17(26)22-10-9-21-16(25)13-22/h4-15H2,1-3H3,(H,21,25)
InChIKeyNZIQVVKHTVQETO-UHFFFAOYSA-N
XLogP1.20
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1,4-diazaspiro[5.5]undecane-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1,4-diazaspiro[5.5]undecane-4-carboxylate?
The IUPAC name of tert-butyl 1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1,4-diazaspiro[5.5]undecane-4-carboxylate (CID 71866190) is tert-butyl 1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1,4-diazaspiro[5.5]undecane-4-carboxylate.
What is the SMILES notation for tert-butyl 1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1,4-diazaspiro[5.5]undecane-4-carboxylate?
The canonical SMILES for tert-butyl 1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1,4-diazaspiro[5.5]undecane-4-carboxylate is CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCNC(=O)C2)C2(CCCCC2)C1.
What is the InChIKey of tert-butyl 1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1,4-diazaspiro[5.5]undecane-4-carboxylate?
The InChIKey is NZIQVVKHTVQETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O4/c1-19(2,3)28-18(27)23-11-12-24(20(15-23)7-5-4-6-8-20)14-17(26)22-10-9-21-16(25)13-22/h4-15H2,1-3H3,(H,21,25).
What are the key properties of tert-butyl 1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1,4-diazaspiro[5.5]undecane-4-carboxylate?
tert-butyl 1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1,4-diazaspiro[5.5]undecane-4-carboxylate has a molecular weight of 394.52 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1,4-diazaspiro[5.5]undecane-4-carboxylate is sourced from PubChem (CID 71866190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).