ethyl 4-(1-benzofuran-2-carbonyl)piperazine-1-carboxylate

C16H18N2O4 — CID 6457707

IUPACethyl 4-(1-benzofuran-2-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cc3ccccc3o2)CC1
InChIInChI=1S/C16H18N2O4/c1-2-21-16(20)18-9-7-17(8-10-18)15(19)14-11-12-5-3-4-6-13(12)22-14/h3-6,11H,2,7-10H2,1H3
InChIKeySUMQDRHUQZJLMC-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.35
Rot. Bonds2

About ethyl 4-(1-benzofuran-2-carbonyl)piperazine-1-carboxylate

ethyl 4-(1-benzofuran-2-carbonyl)piperazine-1-carboxylate (PubChem CID 6457707) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is ethyl 4-(1-benzofuran-2-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(1-benzofuran-2-carbonyl)piperazine-1-carboxylate
PubChem CID6457707
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Nameethyl 4-(1-benzofuran-2-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cc3ccccc3o2)CC1
InChIInChI=1S/C16H18N2O4/c1-2-21-16(20)18-9-7-17(8-10-18)15(19)14-11-12-5-3-4-6-13(12)22-14/h3-6,11H,2,7-10H2,1H3
InChIKeySUMQDRHUQZJLMC-UHFFFAOYSA-N
XLogP2.35
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(1-benzofuran-2-carbonylamino)piperidine-1-carboxylate
CID 31843225
1-benzofuran-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248546
1-benzofuran-2-yl-(4-methylpiperazin-4-ium-1-yl)methanone
CID 7640327
[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 166230750
2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 34010666
1-benzofuran-2-yl-[4-(chloromethyl)piperidin-1-yl]methanone
CID 55188193
1-benzofuran-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2707484
1-benzofuran-2-yl-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79403971
1-benzofuran-2-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 2575317
1-benzofuran-2-yl-[4-(2-chloroethyl)-1,4-diazepan-1-yl]methanone
CID 63394374
1-benzofuran-2-yl-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 37351016
1-benzofuran-2-yl-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 45284243

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1-benzofuran-2-carbonyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(1-benzofuran-2-carbonyl)piperazine-1-carboxylate (CID 6457707) is ethyl 4-(1-benzofuran-2-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(1-benzofuran-2-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(1-benzofuran-2-carbonyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2cc3ccccc3o2)CC1.
What is the InChIKey of ethyl 4-(1-benzofuran-2-carbonyl)piperazine-1-carboxylate?
The InChIKey is SUMQDRHUQZJLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-2-21-16(20)18-9-7-17(8-10-18)15(19)14-11-12-5-3-4-6-13(12)22-14/h3-6,11H,2,7-10H2,1H3.
What are the key properties of ethyl 4-(1-benzofuran-2-carbonyl)piperazine-1-carboxylate?
ethyl 4-(1-benzofuran-2-carbonyl)piperazine-1-carboxylate has a molecular weight of 302.33 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1-benzofuran-2-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 6457707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).