tert-butyl 4-(4-acetylpiperazine-1-carbonyl)piperazine-1-carboxylate

C16H28N4O4 — CID 20716162

IUPACtert-butyl 4-(4-acetylpiperazine-1-carbonyl)piperazine-1-carboxylate
SMILESCC(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C16H28N4O4/c1-13(21)17-5-7-18(8-6-17)14(22)19-9-11-20(12-10-19)15(23)24-16(2,3)4/h5-12H2,1-4H3
InChIKeyBFFUOXUYHQSZHV-UHFFFAOYSA-N
MW340.42 g/mol
LogP0.82
Rot. Bonds

About tert-butyl 4-(4-acetylpiperazine-1-carbonyl)piperazine-1-carboxylate

tert-butyl 4-(4-acetylpiperazine-1-carbonyl)piperazine-1-carboxylate (PubChem CID 20716162) has the molecular formula C16H28N4O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is tert-butyl 4-(4-acetylpiperazine-1-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-acetylpiperazine-1-carbonyl)piperazine-1-carboxylate
PubChem CID20716162
Molecular FormulaC16H28N4O4
Molecular Weight340.42 g/mol
Exact Mass340.21
IUPAC Nametert-butyl 4-(4-acetylpiperazine-1-carbonyl)piperazine-1-carboxylate
SMILESCC(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C16H28N4O4/c1-13(21)17-5-7-18(8-6-17)14(22)19-9-11-20(12-10-19)15(23)24-16(2,3)4/h5-12H2,1-4H3
InChIKeyBFFUOXUYHQSZHV-UHFFFAOYSA-N
XLogP0.82
TPSA73.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(1,1-Dimethylethoxycarbonyl)-1-piperazinyl]carbonyl]-1-methylpiperazine
CID 18321587
4-[2-[4-[(2-Methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethylcarbamoyl]piperazine-1-carboxylic acid
CID 57034963
1,1'-Bis(1,1-dimethylethyl) 4,4'-(1,2-ethanediyl)bis[1-piperazinecarboxylate]
CID 57665786
Di-tert-butyl 4,4'-carbonylbis(piperazine-1-carboxylate)
CID 127593338
Tert-butyl 4-[2-(4-ethylpiperazin-1-yl)ethyl]piperazine-1-carboxylate
CID 141377397
Tert-butyl 4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-1-carboxylate
CID 141377399
Tert-butyl 3-methyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]piperazine-1-carboxylate
CID 149992620
Tert-butyl 4-(4-(but-3-yn-1-yl)piperazine-1-carbonyl)piperazine-1-carboxylate
CID 156176916
Bis(tert-butyl 4-propanoylpiperazine-1-carboxylate);methane
CID 157261220
Tert-butyl 4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazine-1-carboxylate
CID 166846096
Tert-butyl 4-[2-(dimethylamino)ethyl-methylcarbamoyl]piperazine-1-carboxylate
CID 168191484
Ethyl 4-(4-acetylpiperazine-1-carbonyl)piperazine-1-carboxylate
CID 108988666

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-acetylpiperazine-1-carbonyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-acetylpiperazine-1-carbonyl)piperazine-1-carboxylate (CID 20716162) is tert-butyl 4-(4-acetylpiperazine-1-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-acetylpiperazine-1-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-acetylpiperazine-1-carbonyl)piperazine-1-carboxylate is CC(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1.
What is the InChIKey of tert-butyl 4-(4-acetylpiperazine-1-carbonyl)piperazine-1-carboxylate?
The InChIKey is BFFUOXUYHQSZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O4/c1-13(21)17-5-7-18(8-6-17)14(22)19-9-11-20(12-10-19)15(23)24-16(2,3)4/h5-12H2,1-4H3.
What are the key properties of tert-butyl 4-(4-acetylpiperazine-1-carbonyl)piperazine-1-carboxylate?
tert-butyl 4-(4-acetylpiperazine-1-carbonyl)piperazine-1-carboxylate has a molecular weight of 340.42 g/mol, XLogP of 0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-acetylpiperazine-1-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 20716162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).