1-benzofuran-2-yl-(2,5-diethylpiperazin-1-yl)methanone

C17H22N2O2 — CID 64978460

IUPAC1-benzofuran-2-yl-(2,5-diethylpiperazin-1-yl)methanone
SMILESCCC1CN(C(=O)c2cc3ccccc3o2)C(CC)CN1
InChIInChI=1S/C17H22N2O2/c1-3-13-11-19(14(4-2)10-18-13)17(20)16-9-12-7-5-6-8-15(12)21-16/h5-9,13-14,18H,3-4,10-11H2,1-2H3
InChIKeyRGGQENMIOARTPD-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.04
Rot. Bonds3

About 1-benzofuran-2-yl-(2,5-diethylpiperazin-1-yl)methanone

1-benzofuran-2-yl-(2,5-diethylpiperazin-1-yl)methanone (PubChem CID 64978460) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(2,5-diethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-(2,5-diethylpiperazin-1-yl)methanone
PubChem CID64978460
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name1-benzofuran-2-yl-(2,5-diethylpiperazin-1-yl)methanone
SMILESCCC1CN(C(=O)c2cc3ccccc3o2)C(CC)CN1
InChIInChI=1S/C17H22N2O2/c1-3-13-11-19(14(4-2)10-18-13)17(20)16-9-12-7-5-6-8-15(12)21-16/h5-9,13-14,18H,3-4,10-11H2,1-2H3
InChIKeyRGGQENMIOARTPD-UHFFFAOYSA-N
XLogP3.04
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzofuran-2-yl-[(2S,5R)-2,5-dimethylpiperazin-1-yl]methanone
CID 141120566
(2,5-diethylpiperazin-1-yl)-(1H-indol-6-yl)methanone
CID 64978198
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-benzofuran-2-yl)methanone
CID 80504331
1-benzofuran-2-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81484568
1-(2,5-diethylpiperazin-1-yl)-3-(3-methylphenyl)propan-1-one
CID 64978172
1-benzofuran-2-yl-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79403971
(2,5-diethylpiperazin-1-yl)-(3-ethylthiophen-2-yl)methanone
CID 64978414
(3-aminoazetidin-1-yl)-(1-benzofuran-2-yl)methanone
CID 63755277
cyclopent-3-en-1-yl-(2,5-diethylpiperazin-1-yl)methanone
CID 64978451
(3-bromo-4-chlorophenyl)-(2,5-diethylpiperazin-1-yl)methanone
CID 107990467
4-(1-benzofuran-2-carbonyl)-6-ethyl-1-[(4-methoxyphenyl)methyl]piperazin-2-one
CID 10340470
(2,5-dichlorothiophen-3-yl)-(2,5-diethylpiperazin-1-yl)methanone
CID 107963586

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(2,5-diethylpiperazin-1-yl)methanone?
The IUPAC name of 1-benzofuran-2-yl-(2,5-diethylpiperazin-1-yl)methanone (CID 64978460) is 1-benzofuran-2-yl-(2,5-diethylpiperazin-1-yl)methanone.
What is the SMILES notation for 1-benzofuran-2-yl-(2,5-diethylpiperazin-1-yl)methanone?
The canonical SMILES for 1-benzofuran-2-yl-(2,5-diethylpiperazin-1-yl)methanone is CCC1CN(C(=O)c2cc3ccccc3o2)C(CC)CN1.
What is the InChIKey of 1-benzofuran-2-yl-(2,5-diethylpiperazin-1-yl)methanone?
The InChIKey is RGGQENMIOARTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-13-11-19(14(4-2)10-18-13)17(20)16-9-12-7-5-6-8-15(12)21-16/h5-9,13-14,18H,3-4,10-11H2,1-2H3.
What are the key properties of 1-benzofuran-2-yl-(2,5-diethylpiperazin-1-yl)methanone?
1-benzofuran-2-yl-(2,5-diethylpiperazin-1-yl)methanone has a molecular weight of 286.37 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(2,5-diethylpiperazin-1-yl)methanone is sourced from PubChem (CID 64978460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).