ethyl 5-chloro-3-[(2-piperidin-1-ylacetyl)amino]-1-benzofuran-2-carboxylate

C18H21ClN2O4 — CID 1281686

IUPACethyl 5-chloro-3-[(2-piperidin-1-ylacetyl)amino]-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccc(Cl)cc2c1NC(=O)CN1CCCCC1
InChIInChI=1S/C18H21ClN2O4/c1-2-24-18(23)17-16(13-10-12(19)6-7-14(13)25-17)20-15(22)11-21-8-4-3-5-9-21/h6-7,10H,2-5,8-9,11H2,1H3,(H,20,22)
InChIKeyATWIWZAKFULVFS-UHFFFAOYSA-N
MW364.83 g/mol
LogP3.69
Rot. Bonds5

About ethyl 5-chloro-3-[(2-piperidin-1-ylacetyl)amino]-1-benzofuran-2-carboxylate

ethyl 5-chloro-3-[(2-piperidin-1-ylacetyl)amino]-1-benzofuran-2-carboxylate (PubChem CID 1281686) has the molecular formula C18H21ClN2O4 and a molecular weight of 364.83 g/mol. Its IUPAC name is ethyl 5-chloro-3-[(2-piperidin-1-ylacetyl)amino]-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-chloro-3-[(2-piperidin-1-ylacetyl)amino]-1-benzofuran-2-carboxylate
PubChem CID1281686
Molecular FormulaC18H21ClN2O4
Molecular Weight364.83 g/mol
Exact Mass364.12
IUPAC Nameethyl 5-chloro-3-[(2-piperidin-1-ylacetyl)amino]-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccc(Cl)cc2c1NC(=O)CN1CCCCC1
InChIInChI=1S/C18H21ClN2O4/c1-2-24-18(23)17-16(13-10-12(19)6-7-14(13)25-17)20-15(22)11-21-8-4-3-5-9-21/h6-7,10H,2-5,8-9,11H2,1H3,(H,20,22)
InChIKeyATWIWZAKFULVFS-UHFFFAOYSA-N
XLogP3.69
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-bromo-3-(3-piperidin-1-ylpropanoylamino)-1-benzofuran-2-carboxylate
CID 566805
ethyl 5-methoxy-3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-1-benzofuran-2-carboxylate
CID 1283491
ethyl 3-[(2-morpholin-4-ylacetyl)amino]-1-benzofuran-2-carboxylate
CID 568026
5-chloro-3-[(2-morpholin-4-ylacetyl)amino]-1-benzofuran-2-carboxamide;hydrochloride
CID 90485107
N-[5-chloro-2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 574776
N-(2-acetyl-1-benzofuran-3-yl)-2-piperidin-1-ylacetamide;hydrochloride
CID 2916581
N-[5-bromo-2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-pyrrolidin-1-ylacetamide
CID 1254089
ethyl 3-[(2,4-dichlorobenzoyl)amino]-1-benzofuran-2-carboxylate
CID 7117042
ethyl 3-acetamido-5-bromo-1-benzofuran-2-carboxylate
CID 757717
(2-morpholin-4-yl-2-oxoethyl) 5-chloro-3-methyl-1-benzofuran-2-carboxylate
CID 8554196
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 5-chloro-3-methyl-1-benzofuran-2-carboxylate
CID 8555876
methyl 5-chloro-3-[[2-[(3R)-3-ethoxycarbonylpiperidin-1-yl]acetyl]amino]-1H-indole-2-carboxylate
CID 7196040

Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-3-[(2-piperidin-1-ylacetyl)amino]-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 5-chloro-3-[(2-piperidin-1-ylacetyl)amino]-1-benzofuran-2-carboxylate (CID 1281686) is ethyl 5-chloro-3-[(2-piperidin-1-ylacetyl)amino]-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 5-chloro-3-[(2-piperidin-1-ylacetyl)amino]-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 5-chloro-3-[(2-piperidin-1-ylacetyl)amino]-1-benzofuran-2-carboxylate is CCOC(=O)c1oc2ccc(Cl)cc2c1NC(=O)CN1CCCCC1.
What is the InChIKey of ethyl 5-chloro-3-[(2-piperidin-1-ylacetyl)amino]-1-benzofuran-2-carboxylate?
The InChIKey is ATWIWZAKFULVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4/c1-2-24-18(23)17-16(13-10-12(19)6-7-14(13)25-17)20-15(22)11-21-8-4-3-5-9-21/h6-7,10H,2-5,8-9,11H2,1H3,(H,20,22).
What are the key properties of ethyl 5-chloro-3-[(2-piperidin-1-ylacetyl)amino]-1-benzofuran-2-carboxylate?
ethyl 5-chloro-3-[(2-piperidin-1-ylacetyl)amino]-1-benzofuran-2-carboxylate has a molecular weight of 364.83 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-3-[(2-piperidin-1-ylacetyl)amino]-1-benzofuran-2-carboxylate is sourced from PubChem (CID 1281686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).