tert-butyl 4-(3-cyanooxolan-3-yl)piperazine-1-carboxylate

C14H23N3O3 — CID 162747953

IUPACtert-butyl 4-(3-cyanooxolan-3-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C2(C#N)CCOC2)CC1
InChIInChI=1S/C14H23N3O3/c1-13(2,3)20-12(18)16-5-7-17(8-6-16)14(10-15)4-9-19-11-14/h4-9,11H2,1-3H3
InChIKeyGAHCOPJWRCFWLU-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.22
Rot. Bonds1

About tert-butyl 4-(3-cyanooxolan-3-yl)piperazine-1-carboxylate

tert-butyl 4-(3-cyanooxolan-3-yl)piperazine-1-carboxylate (PubChem CID 162747953) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is tert-butyl 4-(3-cyanooxolan-3-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-cyanooxolan-3-yl)piperazine-1-carboxylate
PubChem CID162747953
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Nametert-butyl 4-(3-cyanooxolan-3-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C2(C#N)CCOC2)CC1
InChIInChI=1S/C14H23N3O3/c1-13(2,3)20-12(18)16-5-7-17(8-6-16)14(10-15)4-9-19-11-14/h4-9,11H2,1-3H3
InChIKeyGAHCOPJWRCFWLU-UHFFFAOYSA-N
XLogP1.22
TPSA65.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-cyanooxolan-3-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-cyanooxolan-3-yl)piperazine-1-carboxylate (CID 162747953) is tert-butyl 4-(3-cyanooxolan-3-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-cyanooxolan-3-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-cyanooxolan-3-yl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C2(C#N)CCOC2)CC1.
What is the InChIKey of tert-butyl 4-(3-cyanooxolan-3-yl)piperazine-1-carboxylate?
The InChIKey is GAHCOPJWRCFWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-13(2,3)20-12(18)16-5-7-17(8-6-16)14(10-15)4-9-19-11-14/h4-9,11H2,1-3H3.
What are the key properties of tert-butyl 4-(3-cyanooxolan-3-yl)piperazine-1-carboxylate?
tert-butyl 4-(3-cyanooxolan-3-yl)piperazine-1-carboxylate has a molecular weight of 281.36 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-cyanooxolan-3-yl)piperazine-1-carboxylate is sourced from PubChem (CID 162747953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).