N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide

C26H30N2O5 — CID 55633786

IUPACN-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
SMILESCCOc1cccc2cc(C(C)NC(=O)C3CCN(C(=O)COc4ccccc4)CC3)oc12
InChIInChI=1S/C26H30N2O5/c1-3-31-22-11-7-8-20-16-23(33-25(20)22)18(2)27-26(30)19-12-14-28(15-13-19)24(29)17-32-21-9-5-4-6-10-21/h4-11,16,18-19H,3,12-15,17H2,1-2H3,(H,27,30)
InChIKeyBKNUZGCQZKZECG-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.33
Rot. Bonds8

About N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide

N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide (PubChem CID 55633786) has the molecular formula C26H30N2O5 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
PubChem CID55633786
Molecular FormulaC26H30N2O5
Molecular Weight450.54 g/mol
Exact Mass450.22
IUPAC NameN-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
SMILESCCOc1cccc2cc(C(C)NC(=O)C3CCN(C(=O)COc4ccccc4)CC3)oc12
InChIInChI=1S/C26H30N2O5/c1-3-31-22-11-7-8-20-16-23(33-25(20)22)18(2)27-26(30)19-12-14-28(15-13-19)24(29)17-32-21-9-5-4-6-10-21/h4-11,16,18-19H,3,12-15,17H2,1-2H3,(H,27,30)
InChIKeyBKNUZGCQZKZECG-UHFFFAOYSA-N
XLogP4.33
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]piperidine-4-carboxamide
CID 119273307
(3R)-1-N-[(1R)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pyrrolidine-1,3-dicarboxamide
CID 94039986
N-butan-2-yl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 110673920
2-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119225453
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015116
N-[2-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 17403478
N-[2-[[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 41095730
3-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]butanoic acid
CID 119221159
2-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-phenylacetamide;hydrochloride
CID 119273318
tert-butyl 2-[1-(7-ethoxy-1-benzofuran-2-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate
CID 55396395
1-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 78879968
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 55396138

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The IUPAC name of N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide (CID 55633786) is N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide is CCOc1cccc2cc(C(C)NC(=O)C3CCN(C(=O)COc4ccccc4)CC3)oc12.
What is the InChIKey of N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The InChIKey is BKNUZGCQZKZECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O5/c1-3-31-22-11-7-8-20-16-23(33-25(20)22)18(2)27-26(30)19-12-14-28(15-13-19)24(29)17-32-21-9-5-4-6-10-21/h4-11,16,18-19H,3,12-15,17H2,1-2H3,(H,27,30).
What are the key properties of N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 55633786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).