tert-butyl 4-(2-carbamoyl-1-benzofuran-5-yl)piperazine-1-carboxylate

C18H23N3O4 — CID 11244883

IUPACtert-butyl 4-(2-carbamoyl-1-benzofuran-5-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc3oc(C(N)=O)cc3c2)CC1
InChIInChI=1S/C18H23N3O4/c1-18(2,3)25-17(23)21-8-6-20(7-9-21)13-4-5-14-12(10-13)11-15(24-14)16(19)22/h4-5,10-11H,6-9H2,1-3H3,(H2,19,22)
InChIKeyRXWUUFACDXGVIO-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.59
Rot. Bonds2

About tert-butyl 4-(2-carbamoyl-1-benzofuran-5-yl)piperazine-1-carboxylate

tert-butyl 4-(2-carbamoyl-1-benzofuran-5-yl)piperazine-1-carboxylate (PubChem CID 11244883) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is tert-butyl 4-(2-carbamoyl-1-benzofuran-5-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-carbamoyl-1-benzofuran-5-yl)piperazine-1-carboxylate
PubChem CID11244883
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Nametert-butyl 4-(2-carbamoyl-1-benzofuran-5-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc3oc(C(N)=O)cc3c2)CC1
InChIInChI=1S/C18H23N3O4/c1-18(2,3)25-17(23)21-8-6-20(7-9-21)13-4-5-14-12(10-13)11-15(24-14)16(19)22/h4-5,10-11H,6-9H2,1-3H3,(H2,19,22)
InChIKeyRXWUUFACDXGVIO-UHFFFAOYSA-N
XLogP2.59
TPSA89.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-(2-ethoxycarbonyl-1-benzofuran-5-yl)piperazine-1-carboxylate;5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1-benzofuran-2-carboxamide
CID 159071042
tert-butyl 4-[2-(2H-tetrazol-5-yl)-1-benzofuran-5-yl]piperazine-1-carboxylate
CID 134255245
tert-butyl 4-(2-methyl-1,3-benzoxazol-6-yl)piperazine-1-carboxylate
CID 20785686
tert-butyl 4-(3,4-diaminophenyl)-1,4-diazepane-1-carboxylate
CID 22272464
2-amino-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid
CID 36995546
tert-butyl 4-[4-[6-(chloromethyl)-2-oxochromene-3-carbonyl]oxyphenyl]piperazine-1-carboxylate
CID 170567446
1-methyl-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]indole-2-carboxylic acid
CID 83972205
tert-butyl 4-(4-methylsulfanylphenyl)piperazine-1-carboxylate;carbamic acid
CID 69249355
tert-butyl 4-(4-chloro-3-methylphenyl)piperazine-1-carboxylate;ethane
CID 143766632
tert-butyl 4-(4-bromophenyl)piperazine-1-carboxylate;ethane
CID 156798550
tert-butyl 4-(4-methylphenyl)piperazine-1-carboxylate;methane
CID 167653835
tert-butyl 4-[3-amino-4-(aminomethyl)phenyl]piperazine-1-carboxylate
CID 131732196

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-carbamoyl-1-benzofuran-5-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-carbamoyl-1-benzofuran-5-yl)piperazine-1-carboxylate (CID 11244883) is tert-butyl 4-(2-carbamoyl-1-benzofuran-5-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-carbamoyl-1-benzofuran-5-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-carbamoyl-1-benzofuran-5-yl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2ccc3oc(C(N)=O)cc3c2)CC1.
What is the InChIKey of tert-butyl 4-(2-carbamoyl-1-benzofuran-5-yl)piperazine-1-carboxylate?
The InChIKey is RXWUUFACDXGVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-18(2,3)25-17(23)21-8-6-20(7-9-21)13-4-5-14-12(10-13)11-15(24-14)16(19)22/h4-5,10-11H,6-9H2,1-3H3,(H2,19,22).
What are the key properties of tert-butyl 4-(2-carbamoyl-1-benzofuran-5-yl)piperazine-1-carboxylate?
tert-butyl 4-(2-carbamoyl-1-benzofuran-5-yl)piperazine-1-carboxylate has a molecular weight of 345.40 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-carbamoyl-1-benzofuran-5-yl)piperazine-1-carboxylate is sourced from PubChem (CID 11244883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).