tert-butyl 3-(cyclobutylcarbamoyl)piperazine-1-carboxylate

C14H25N3O3 — CID 146026822

IUPACtert-butyl 3-(cyclobutylcarbamoyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNC(C(=O)NC2CCC2)C1
InChIInChI=1S/C14H25N3O3/c1-14(2,3)20-13(19)17-8-7-15-11(9-17)12(18)16-10-5-4-6-10/h10-11,15H,4-9H2,1-3H3,(H,16,18)
InChIKeyLPUHCKKRELRJPH-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.86
Rot. Bonds2

About tert-butyl 3-(cyclobutylcarbamoyl)piperazine-1-carboxylate

tert-butyl 3-(cyclobutylcarbamoyl)piperazine-1-carboxylate (PubChem CID 146026822) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is tert-butyl 3-(cyclobutylcarbamoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(cyclobutylcarbamoyl)piperazine-1-carboxylate
PubChem CID146026822
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Nametert-butyl 3-(cyclobutylcarbamoyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNC(C(=O)NC2CCC2)C1
InChIInChI=1S/C14H25N3O3/c1-14(2,3)20-13(19)17-8-7-15-11(9-17)12(18)16-10-5-4-6-10/h10-11,15H,4-9H2,1-3H3,(H,16,18)
InChIKeyLPUHCKKRELRJPH-UHFFFAOYSA-N
XLogP0.86
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-methylpiperazine-1-carboxylate;hydrochloride
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tert-butyl (3R)-3-(oxane-4-carbonylamino)piperidine-1-carboxylate
CID 53256460
tert-butyl 3-tert-butylpiperazine-1-carboxylate;hydrochloride
CID 57355298
tert-butyl 3-(2-hydroxyethyl)piperazine-1-carboxylate
CID 53407692
tert-butyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]azepane-1-carboxylate
CID 171397391
tert-butyl 3-(carbamoylamino)piperidine-1-carboxylate
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tert-butyl 3-[2-(4-fluorophenyl)ethylcarbamoyl]piperazine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(cyclobutylcarbamoyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 3-(cyclobutylcarbamoyl)piperazine-1-carboxylate (CID 146026822) is tert-butyl 3-(cyclobutylcarbamoyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(cyclobutylcarbamoyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(cyclobutylcarbamoyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCNC(C(=O)NC2CCC2)C1.
What is the InChIKey of tert-butyl 3-(cyclobutylcarbamoyl)piperazine-1-carboxylate?
The InChIKey is LPUHCKKRELRJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-14(2,3)20-13(19)17-8-7-15-11(9-17)12(18)16-10-5-4-6-10/h10-11,15H,4-9H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl 3-(cyclobutylcarbamoyl)piperazine-1-carboxylate?
tert-butyl 3-(cyclobutylcarbamoyl)piperazine-1-carboxylate has a molecular weight of 283.37 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(cyclobutylcarbamoyl)piperazine-1-carboxylate is sourced from PubChem (CID 146026822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).