(7-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone

C17H21FN2O3 — CID 56779859

IUPAC(7-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
SMILESCc1c(C(=O)N2CCN(CC(C)O)CC2)oc2c(F)cccc12
InChIInChI=1S/C17H21FN2O3/c1-11(21)10-19-6-8-20(9-7-19)17(22)15-12(2)13-4-3-5-14(18)16(13)23-15/h3-5,11,21H,6-10H2,1-2H3
InChIKeyOXWHSUBBKWGDCH-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.02
Rot. Bonds3

About (7-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone

(7-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone (PubChem CID 56779859) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is (7-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(7-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
PubChem CID56779859
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name(7-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
SMILESCc1c(C(=O)N2CCN(CC(C)O)CC2)oc2c(F)cccc12
InChIInChI=1S/C17H21FN2O3/c1-11(21)10-19-6-8-20(9-7-19)17(22)15-12(2)13-4-3-5-14(18)16(13)23-15/h3-5,11,21H,6-10H2,1-2H3
InChIKeyOXWHSUBBKWGDCH-UHFFFAOYSA-N
XLogP2.02
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylpiperazin-1-yl)-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 42510639
7-fluoro-N-(2-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide
CID 43393388
(7-chloro-3-methyl-1-benzofuran-2-yl)-(4-propylpiperazin-1-yl)methanone
CID 9440318
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)-(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
N-ethyl-7-fluoro-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide
CID 123307514
7-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 112548198
(7-fluoro-3-methyl-1-benzofuran-2-yl)-(3-propoxypiperidin-1-yl)methanone
CID 45171032

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
The IUPAC name of (7-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone (CID 56779859) is (7-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone.
What is the SMILES notation for (7-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
The canonical SMILES for (7-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone is Cc1c(C(=O)N2CCN(CC(C)O)CC2)oc2c(F)cccc12.
What is the InChIKey of (7-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
The InChIKey is OXWHSUBBKWGDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3/c1-11(21)10-19-6-8-20(9-7-19)17(22)15-12(2)13-4-3-5-14(18)16(13)23-15/h3-5,11,21H,6-10H2,1-2H3.
What are the key properties of (7-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
(7-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone has a molecular weight of 320.36 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 56779859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).