tert-butyl 2-(piperazine-1-carbonyl)azetidine-1-carboxylate

C13H23N3O3 — CID 175527976

IUPACtert-butyl 2-(piperazine-1-carbonyl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC1C(=O)N1CCNCC1
InChIInChI=1S/C13H23N3O3/c1-13(2,3)19-12(18)16-7-4-10(16)11(17)15-8-5-14-6-9-15/h10,14H,4-9H2,1-3H3
InChIKeyMYOYVFMYLINHSG-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.43
Rot. Bonds1

About tert-butyl 2-(piperazine-1-carbonyl)azetidine-1-carboxylate

tert-butyl 2-(piperazine-1-carbonyl)azetidine-1-carboxylate (PubChem CID 175527976) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is tert-butyl 2-(piperazine-1-carbonyl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(piperazine-1-carbonyl)azetidine-1-carboxylate
PubChem CID175527976
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Nametert-butyl 2-(piperazine-1-carbonyl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC1C(=O)N1CCNCC1
InChIInChI=1S/C13H23N3O3/c1-13(2,3)19-12(18)16-7-4-10(16)11(17)15-8-5-14-6-9-15/h10,14H,4-9H2,1-3H3
InChIKeyMYOYVFMYLINHSG-UHFFFAOYSA-N
XLogP0.43
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ditert-butyl azetidine-1,2-dicarboxylate
CID 14821737
tert-butyl (2S)-2-(azepane-1-carbonyl)pyrrolidine-1-carboxylate
CID 10469863
tert-butyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 57428961
tert-butyl piperazine-1-carboxylate;methane
CID 174471990
2-[(2-methylpropan-2-yl)oxy]-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 115949467
tert-butyl piperazine-1-carboxylate;nitroxyl
CID 172741064
tert-butyl (2R)-2-[4-(dimethylamino)piperidine-1-carbonyl]pyrrolidine-1-carboxylate
CID 143899487
tert-butyl 3-(piperazine-1-carbonyl)piperidine-1-carboxylate
CID 50986435
1-O-tert-butyl 2-O-methyl (2S)-azetidine-1,2-dicarboxylate
CID 14821736
tert-butyl (2S)-2-[(3S)-3-methyl-3-propan-2-ylpyrrolidine-1-carbonyl]azetidine-1-carboxylate
CID 118444524
(2-methyl-4-oxo-4-piperazin-1-ylbutan-2-yl) (2S)-2-[4-(3-hydroxy-3-methylbutanoyl)piperazine-1-carbonyl]pyrrolidine-1-carboxylate;hydrochloride
CID 174210599
tert-butyl 7-(hydroxymethyl)-1,4-diazepane-1-carboxylate
CID 178201698

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(piperazine-1-carbonyl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(piperazine-1-carbonyl)azetidine-1-carboxylate (CID 175527976) is tert-butyl 2-(piperazine-1-carbonyl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(piperazine-1-carbonyl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(piperazine-1-carbonyl)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC1C(=O)N1CCNCC1.
What is the InChIKey of tert-butyl 2-(piperazine-1-carbonyl)azetidine-1-carboxylate?
The InChIKey is MYOYVFMYLINHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-13(2,3)19-12(18)16-7-4-10(16)11(17)15-8-5-14-6-9-15/h10,14H,4-9H2,1-3H3.
What are the key properties of tert-butyl 2-(piperazine-1-carbonyl)azetidine-1-carboxylate?
tert-butyl 2-(piperazine-1-carbonyl)azetidine-1-carboxylate has a molecular weight of 269.34 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(piperazine-1-carbonyl)azetidine-1-carboxylate is sourced from PubChem (CID 175527976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).