ethyl 2-[[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazine-1-carbonyl]amino]acetate

C25H29N3O5 — CID 24736149

IUPACethyl 2-[[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazine-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCN(Cc2cc3cc(-c4ccccc4OC)ccc3o2)CC1
InChIInChI=1S/C25H29N3O5/c1-3-32-24(29)16-26-25(30)28-12-10-27(11-13-28)17-20-15-19-14-18(8-9-22(19)33-20)21-6-4-5-7-23(21)31-2/h4-9,14-15H,3,10-13,16-17H2,1-2H3,(H,26,30)
InChIKeyKFEULHKJMIFHGA-UHFFFAOYSA-N
MW451.52 g/mol
LogP3.50
Rot. Bonds7

About ethyl 2-[[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazine-1-carbonyl]amino]acetate

ethyl 2-[[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazine-1-carbonyl]amino]acetate (PubChem CID 24736149) has the molecular formula C25H29N3O5 and a molecular weight of 451.52 g/mol. Its IUPAC name is ethyl 2-[[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazine-1-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazine-1-carbonyl]amino]acetate
PubChem CID24736149
Molecular FormulaC25H29N3O5
Molecular Weight451.52 g/mol
Exact Mass451.21
IUPAC Nameethyl 2-[[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazine-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCN(Cc2cc3cc(-c4ccccc4OC)ccc3o2)CC1
InChIInChI=1S/C25H29N3O5/c1-3-32-24(29)16-26-25(30)28-12-10-27(11-13-28)17-20-15-19-14-18(8-9-22(19)33-20)21-6-4-5-7-23(21)31-2/h4-9,14-15H,3,10-13,16-17H2,1-2H3,(H,26,30)
InChIKeyKFEULHKJMIFHGA-UHFFFAOYSA-N
XLogP3.50
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazine-1-carbonyl]amino]acetate with MolForge

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Related Compounds

cyclopropyl-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]methanone
CID 24736139
cyclopropyl-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]methanone
CID 24737245
1-(4-methoxyphenyl)-2-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone
CID 24736156
1-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazine
CID 24736162
ethyl 2-[[4-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-1-carbonyl]amino]acetate
CID 42692153
4-methoxy-2-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]pyrimidine;hydrochloride
CID 24736160
1-[4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone
CID 24736094
ethyl 2-[[4-[[5-(diethylcarbamoyl)-1,3-benzoxazol-2-yl]methyl]piperazine-1-carbonyl]amino]acetate
CID 46383314
1-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]ethanone
CID 24736200
ethyl 2-[[4-(2-oxo-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperazine-1-carbonyl]amino]acetate
CID 3044287
N-benzyl-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 858309
3-[4-[(2-methoxyphenyl)methyl]piperazine-1-carbonyl]chromen-2-one
CID 171385899

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazine-1-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazine-1-carbonyl]amino]acetate (CID 24736149) is ethyl 2-[[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazine-1-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazine-1-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazine-1-carbonyl]amino]acetate is CCOC(=O)CNC(=O)N1CCN(Cc2cc3cc(-c4ccccc4OC)ccc3o2)CC1.
What is the InChIKey of ethyl 2-[[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazine-1-carbonyl]amino]acetate?
The InChIKey is KFEULHKJMIFHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5/c1-3-32-24(29)16-26-25(30)28-12-10-27(11-13-28)17-20-15-19-14-18(8-9-22(19)33-20)21-6-4-5-7-23(21)31-2/h4-9,14-15H,3,10-13,16-17H2,1-2H3,(H,26,30).
What are the key properties of ethyl 2-[[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazine-1-carbonyl]amino]acetate?
ethyl 2-[[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazine-1-carbonyl]amino]acetate has a molecular weight of 451.52 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazine-1-carbonyl]amino]acetate is sourced from PubChem (CID 24736149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).