tert-butyl 4-(furan-2-carbonyl)piperazine-1-carboxylate

C14H20N2O4 — CID 2980350

IUPACtert-butyl 4-(furan-2-carbonyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C14H20N2O4/c1-14(2,3)20-13(18)16-8-6-15(7-9-16)12(17)11-5-4-10-19-11/h4-5,10H,6-9H2,1-3H3
InChIKeyOBZSDNCSRJZPAG-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.97
Rot. Bonds1

About tert-butyl 4-(furan-2-carbonyl)piperazine-1-carboxylate

tert-butyl 4-(furan-2-carbonyl)piperazine-1-carboxylate (PubChem CID 2980350) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is tert-butyl 4-(furan-2-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(furan-2-carbonyl)piperazine-1-carboxylate
PubChem CID2980350
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Nametert-butyl 4-(furan-2-carbonyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C14H20N2O4/c1-14(2,3)20-13(18)16-8-6-15(7-9-16)12(17)11-5-4-10-19-11/h4-5,10H,6-9H2,1-3H3
InChIKeyOBZSDNCSRJZPAG-UHFFFAOYSA-N
XLogP1.97
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3R)-3-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]pyrrolidine-1-carboxylate
CID 96538034
tert-butyl 4-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperazine-1-carboxylate
CID 55975170
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958407
tert-butyl N-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]carbamate
CID 108543095
tert-butyl N-[3-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-3-oxopropyl]carbamate
CID 108543198
tert-butyl 4-[2-(furan-2-yl)-3-methylbenzoyl]piperazine-1-carboxylate
CID 168526708
tert-butyl N-[2-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]carbamate
CID 108548132
[4-(3-ethyl-3-methylpentyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 71096247
N-tert-butyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 26495641
azepan-1-yl(furan-2-yl)methanone
CID 5200992
tert-butyl 4-[2-(furan-2-carbonylamino)ethylcarbamoyl]piperidine-1-carboxylate
CID 30797213
tert-butyl 4-(furan-2-ylmethylcarbamoyl)piperazine-1-carboxylate
CID 127575362

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(furan-2-carbonyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(furan-2-carbonyl)piperazine-1-carboxylate (CID 2980350) is tert-butyl 4-(furan-2-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(furan-2-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(furan-2-carbonyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of tert-butyl 4-(furan-2-carbonyl)piperazine-1-carboxylate?
The InChIKey is OBZSDNCSRJZPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-14(2,3)20-13(18)16-8-6-15(7-9-16)12(17)11-5-4-10-19-11/h4-5,10H,6-9H2,1-3H3.
What are the key properties of tert-butyl 4-(furan-2-carbonyl)piperazine-1-carboxylate?
tert-butyl 4-(furan-2-carbonyl)piperazine-1-carboxylate has a molecular weight of 280.32 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(furan-2-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 2980350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).