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

C15H23N3O4 — CID 127575362

IUPACtert-butyl 4-(furan-2-ylmethylcarbamoyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)NCc2ccco2)CC1
InChIInChI=1S/C15H23N3O4/c1-15(2,3)22-14(20)18-8-6-17(7-9-18)13(19)16-11-12-5-4-10-21-12/h4-5,10H,6-9,11H2,1-3H3,(H,16,19)
InChIKeyBBUJWLPHFFWXFJ-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.04
Rot. Bonds2

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

tert-butyl 4-(furan-2-ylmethylcarbamoyl)piperazine-1-carboxylate (PubChem CID 127575362) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is tert-butyl 4-(furan-2-ylmethylcarbamoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(furan-2-ylmethylcarbamoyl)piperazine-1-carboxylate
PubChem CID127575362
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Nametert-butyl 4-(furan-2-ylmethylcarbamoyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)NCc2ccco2)CC1
InChIInChI=1S/C15H23N3O4/c1-15(2,3)22-14(20)18-8-6-17(7-9-18)13(19)16-11-12-5-4-10-21-12/h4-5,10H,6-9,11H2,1-3H3,(H,16,19)
InChIKeyBBUJWLPHFFWXFJ-UHFFFAOYSA-N
XLogP2.04
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(furan-2-ylmethylamino)piperidine-1-carboxylate;hydrochloride
CID 75365791
furan-2-ylmethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium
CID 6989299
tert-butyl 4-[[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]methyl]piperidine-1-carboxylate;hydroiodide
CID 110934744
tert-butyl 4-[(2-bromophenyl)methylcarbamoyl]piperazine-1-carboxylate
CID 54156094
tert-butyl 2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carboxylate
CID 51147296
N-(furan-2-ylmethyl)-4-prop-2-enylpiperazine-1-carboxamide
CID 113103527
tert-butyl 4-(furan-2-carbonyl)piperazine-1-carboxylate
CID 2980350
tert-butyl 4-[(3-bromophenyl)methylcarbamoyl]piperazine-1-carboxylate
CID 60601996
tert-butyl 3-(furan-2-ylmethylcarbamoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
CID 84576117
4-(2,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106508
tert-butyl 3-(furan-2-ylmethylamino)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate;hydroiodide
CID 75495051
tert-butyl (4S)-3-(furan-2-ylmethylamino)-4-methoxypyrrolidine-1-carboxylate
CID 75388151

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(furan-2-ylmethylcarbamoyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(furan-2-ylmethylcarbamoyl)piperazine-1-carboxylate (CID 127575362) is tert-butyl 4-(furan-2-ylmethylcarbamoyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(furan-2-ylmethylcarbamoyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(furan-2-ylmethylcarbamoyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(=O)NCc2ccco2)CC1.
What is the InChIKey of tert-butyl 4-(furan-2-ylmethylcarbamoyl)piperazine-1-carboxylate?
The InChIKey is BBUJWLPHFFWXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-15(2,3)22-14(20)18-8-6-17(7-9-18)13(19)16-11-12-5-4-10-21-12/h4-5,10H,6-9,11H2,1-3H3,(H,16,19).
What are the key properties of tert-butyl 4-(furan-2-ylmethylcarbamoyl)piperazine-1-carboxylate?
tert-butyl 4-(furan-2-ylmethylcarbamoyl)piperazine-1-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(furan-2-ylmethylcarbamoyl)piperazine-1-carboxylate is sourced from PubChem (CID 127575362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).