[4-(5-ethyl-2-hydroxybenzoyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone

C19H22N2O4 — CID 51102388

IUPAC[4-(5-ethyl-2-hydroxybenzoyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCCc1ccc(O)c(C(=O)N2CCN(C(=O)c3ccoc3C)CC2)c1
InChIInChI=1S/C19H22N2O4/c1-3-14-4-5-17(22)16(12-14)19(24)21-9-7-20(8-10-21)18(23)15-6-11-25-13(15)2/h4-6,11-12,22H,3,7-10H2,1-2H3
InChIKeyYEZDEDONGDBWDX-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.45
Rot. Bonds3

About [4-(5-ethyl-2-hydroxybenzoyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone

[4-(5-ethyl-2-hydroxybenzoyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone (PubChem CID 51102388) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is [4-(5-ethyl-2-hydroxybenzoyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[4-(5-ethyl-2-hydroxybenzoyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone
PubChem CID51102388
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name[4-(5-ethyl-2-hydroxybenzoyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCCc1ccc(O)c(C(=O)N2CCN(C(=O)c3ccoc3C)CC2)c1
InChIInChI=1S/C19H22N2O4/c1-3-14-4-5-17(22)16(12-14)19(24)21-9-7-20(8-10-21)18(23)15-6-11-25-13(15)2/h4-6,11-12,22H,3,7-10H2,1-2H3
InChIKeyYEZDEDONGDBWDX-UHFFFAOYSA-N
XLogP2.45
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-1-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]propan-1-one
CID 134021630
(2-methylfuran-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 47024442
[4-(2-bromoethyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone
CID 80660536
[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(2-methylfuran-3-yl)methanone
CID 95312025
4-[[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]methyl]benzonitrile
CID 27755791
(5-ethyl-2-hydroxyphenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 110911190
[4-(ethylaminomethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 80551479
(3-fluorophenyl)-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]methanone
CID 32523344
2-methyl-1-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 46579880
[3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 62348870
[4-(2-methylfuran-3-carbonyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 86991537
(2-methylfuran-3-yl)-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 70727890

Frequently Asked Questions

What is the IUPAC name of [4-(5-ethyl-2-hydroxybenzoyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone?
The IUPAC name of [4-(5-ethyl-2-hydroxybenzoyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone (CID 51102388) is [4-(5-ethyl-2-hydroxybenzoyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for [4-(5-ethyl-2-hydroxybenzoyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone?
The canonical SMILES for [4-(5-ethyl-2-hydroxybenzoyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone is CCc1ccc(O)c(C(=O)N2CCN(C(=O)c3ccoc3C)CC2)c1.
What is the InChIKey of [4-(5-ethyl-2-hydroxybenzoyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone?
The InChIKey is YEZDEDONGDBWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-3-14-4-5-17(22)16(12-14)19(24)21-9-7-20(8-10-21)18(23)15-6-11-25-13(15)2/h4-6,11-12,22H,3,7-10H2,1-2H3.
What are the key properties of [4-(5-ethyl-2-hydroxybenzoyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone?
[4-(5-ethyl-2-hydroxybenzoyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone has a molecular weight of 342.40 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-ethyl-2-hydroxybenzoyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 51102388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).