(4-ethylpiperazin-1-yl)-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone

C16H19FN2O2 — CID 42510639

IUPAC(4-ethylpiperazin-1-yl)-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone
SMILESCCN1CCN(C(=O)c2oc3c(F)cccc3c2C)CC1
InChIInChI=1S/C16H19FN2O2/c1-3-18-7-9-19(10-8-18)16(20)14-11(2)12-5-4-6-13(17)15(12)21-14/h4-6H,3,7-10H2,1-2H3
InChIKeyLYLXKUCLLIRXQB-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.66
Rot. Bonds2

About (4-ethylpiperazin-1-yl)-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone

(4-ethylpiperazin-1-yl)-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone (PubChem CID 42510639) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone
PubChem CID42510639
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name(4-ethylpiperazin-1-yl)-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone
SMILESCCN1CCN(C(=O)c2oc3c(F)cccc3c2C)CC1
InChIInChI=1S/C16H19FN2O2/c1-3-18-7-9-19(10-8-18)16(20)14-11(2)12-5-4-6-13(17)15(12)21-14/h4-6H,3,7-10H2,1-2H3
InChIKeyLYLXKUCLLIRXQB-UHFFFAOYSA-N
XLogP2.66
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(7-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779859
(7-chloro-3-methyl-1-benzofuran-2-yl)-(4-propylpiperazin-1-yl)methanone
CID 9440318
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 24525595
N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 37052931
2-[4-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 51185326
(7-fluoro-3-methyl-1-benzofuran-2-yl)-(3-propoxypiperidin-1-yl)methanone
CID 45171032
(7-fluoro-3-methyl-1-benzofuran-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 42290505
azetidin-1-yl-(7-chloro-3-methyl-1-benzofuran-2-yl)methanone
CID 17439317
(7-chloro-3-methyl-1-benzofuran-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 2097237
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 71927981
2-[4-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 78800961
(2-bromo-6-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 113250757

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone (CID 42510639) is (4-ethylpiperazin-1-yl)-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone is CCN1CCN(C(=O)c2oc3c(F)cccc3c2C)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is LYLXKUCLLIRXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-3-18-7-9-19(10-8-18)16(20)14-11(2)12-5-4-6-13(17)15(12)21-14/h4-6H,3,7-10H2,1-2H3.
What are the key properties of (4-ethylpiperazin-1-yl)-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone?
(4-ethylpiperazin-1-yl)-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 290.34 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 42510639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).