methyl 4-(cyclobutanecarbonyl)piperazine-1-carboxylate

C11H18N2O3 — CID 110818476

IUPACmethyl 4-(cyclobutanecarbonyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C11H18N2O3/c1-16-11(15)13-7-5-12(6-8-13)10(14)9-3-2-4-9/h9H,2-8H2,1H3
InChIKeyBFWMIUFBQWHDGO-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.70
Rot. Bonds1

About methyl 4-(cyclobutanecarbonyl)piperazine-1-carboxylate

methyl 4-(cyclobutanecarbonyl)piperazine-1-carboxylate (PubChem CID 110818476) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is methyl 4-(cyclobutanecarbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(cyclobutanecarbonyl)piperazine-1-carboxylate
PubChem CID110818476
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Namemethyl 4-(cyclobutanecarbonyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C11H18N2O3/c1-16-11(15)13-7-5-12(6-8-13)10(14)9-3-2-4-9/h9H,2-8H2,1H3
InChIKeyBFWMIUFBQWHDGO-UHFFFAOYSA-N
XLogP0.70
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate
CID 60700298
methyl 4-(1-acetylpiperidine-4-carbonyl)-1,4-diazepane-1-carboxylate
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methyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]-1,4-diazepane-1-carboxylate
CID 52843125
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
ethyl 4-(cyclohexanecarbonyl)piperazine-1-carboxylate
CID 750615
cyclobutyl-(4-methylpiperazin-1-yl)methanone;ethane
CID 176666855
methyl 4-(4-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 110754124
methyl 4-cyclopentylpiperazine-1-carboxylate
CID 110708898
ethyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate
CID 30148055
CID 123683302
CID 123683302
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
cyclohexyl(piperidin-1-yl)methanone
CID 12760854

Frequently Asked Questions

What is the IUPAC name of methyl 4-(cyclobutanecarbonyl)piperazine-1-carboxylate?
The IUPAC name of methyl 4-(cyclobutanecarbonyl)piperazine-1-carboxylate (CID 110818476) is methyl 4-(cyclobutanecarbonyl)piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-(cyclobutanecarbonyl)piperazine-1-carboxylate?
The canonical SMILES for methyl 4-(cyclobutanecarbonyl)piperazine-1-carboxylate is COC(=O)N1CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of methyl 4-(cyclobutanecarbonyl)piperazine-1-carboxylate?
The InChIKey is BFWMIUFBQWHDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-16-11(15)13-7-5-12(6-8-13)10(14)9-3-2-4-9/h9H,2-8H2,1H3.
What are the key properties of methyl 4-(cyclobutanecarbonyl)piperazine-1-carboxylate?
methyl 4-(cyclobutanecarbonyl)piperazine-1-carboxylate has a molecular weight of 226.28 g/mol, XLogP of 0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(cyclobutanecarbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 110818476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).