tert-butyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate

C13H22N2O3 — CID 968936

IUPACtert-butyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C13H22N2O3/c1-13(2,3)18-12(17)15-8-6-14(7-9-15)11(16)10-4-5-10/h10H,4-9H2,1-3H3
InChIKeyIREXWNMKXDFMFW-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.48
Rot. Bonds1

About tert-butyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate

tert-butyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate (PubChem CID 968936) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is tert-butyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate
PubChem CID968936
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Nametert-butyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C13H22N2O3/c1-13(2,3)18-12(17)15-8-6-14(7-9-15)11(16)10-4-5-10/h10H,4-9H2,1-3H3
InChIKeyIREXWNMKXDFMFW-UHFFFAOYSA-N
XLogP1.48
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Cyclopropyl(4-ethylpiperazin-1-yl)methanone
CID 5151632
Ethyl 4-(2-methylbutanoyl)piperazine-1-carboxylate
CID 45804251
tert-butyl (2S)-2-methyl-4-propanoylpiperazine-1-carboxylate
CID 95777634
1-[4-(Cyclopropanecarbonyl)piperazin-1-yl]-3-methylbutan-1-one
CID 776750
tert-Butyl 4-(3-oxobutanoyl)piperazine-1-carboxylate
CID 22028659
Tert-butyl 4-(3-oxobutyl)piperazine-1-carboxylate
CID 23081416
Tert-butyl 4-(2-fluoro-2-methylpropanoyl)piperazine-1-carboxylate
CID 68241102
Tert-butyl 4-(4,4,4-trifluorobutanoyl)piperazine-1-carboxylate
CID 169220361
tert-butyl (2S,5R)-4-[(1S)-2,2-difluorocyclopropanecarbonyl]-5-ethyl-2-methylpiperazine-1-carboxylate
CID 176178968
tert-butyl (2S,5R)-4-[(1R)-2,2-difluorocyclopropanecarbonyl]-2,5-dimethylpiperazine-1-carboxylate
CID 176179035
tert-butyl (2S,5R)-4-[(1S)-2,2-difluorocyclopropanecarbonyl]-2,5-dimethylpiperazine-1-carboxylate
CID 176384133
Tert-butyl 4-(2,2-difluorocyclopropanecarbonyl)-2-methylpiperazine-1-carboxylate
CID 176717089

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate (CID 968936) is tert-butyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of tert-butyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate?
The InChIKey is IREXWNMKXDFMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-13(2,3)18-12(17)15-8-6-14(7-9-15)11(16)10-4-5-10/h10H,4-9H2,1-3H3.
What are the key properties of tert-butyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate?
tert-butyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate has a molecular weight of 254.33 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 968936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).