(5-ethylfuran-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

C13H20N2O3 — CID 43427788

IUPAC(5-ethylfuran-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCN(CCO)CC2)o1
InChIInChI=1S/C13H20N2O3/c1-2-11-3-4-12(18-11)13(17)15-7-5-14(6-8-15)9-10-16/h3-4,16H,2,5-10H2,1H3
InChIKeyUTIHTQJHHIWYQP-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.59
Rot. Bonds4

About (5-ethylfuran-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

(5-ethylfuran-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (PubChem CID 43427788) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is (5-ethylfuran-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethylfuran-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
PubChem CID43427788
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name(5-ethylfuran-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCN(CCO)CC2)o1
InChIInChI=1S/C13H20N2O3/c1-2-11-3-4-12(18-11)13(17)15-7-5-14(6-8-15)9-10-16/h3-4,16H,2,5-10H2,1H3
InChIKeyUTIHTQJHHIWYQP-UHFFFAOYSA-N
XLogP0.59
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-hydroxyethyl)piperazin-1-yl]-[5-(methylsulfanylmethyl)furan-2-yl]methanone
CID 43416265
2-[4-(5-ethylfuran-2-carbonyl)piperazin-1-yl]acetonitrile
CID 79001404
(5-ethylfuran-2-yl)-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone
CID 95350387
1-(5-ethylfuran-2-carbonyl)piperidin-4-one
CID 79095458
(5-bromofuran-2-yl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 63308791
4-ethyl-1-(5-ethylfuran-2-carbonyl)piperidine-4-carboxylic acid
CID 63125392
(5-ethylthiophen-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43416286
[4-(5-ethylfuran-2-carbonyl)-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone
CID 78862101
(3-aminopyrrolidin-1-yl)-(5-ethylfuran-2-yl)methanone
CID 79094746
[4-(2-aminoethyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone
CID 43251608
(5-ethylfuran-2-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79028614
(5-ethylfuran-2-yl)-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 71998330

Frequently Asked Questions

What is the IUPAC name of (5-ethylfuran-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The IUPAC name of (5-ethylfuran-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (CID 43427788) is (5-ethylfuran-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-ethylfuran-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-ethylfuran-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is CCc1ccc(C(=O)N2CCN(CCO)CC2)o1.
What is the InChIKey of (5-ethylfuran-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The InChIKey is UTIHTQJHHIWYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-2-11-3-4-12(18-11)13(17)15-7-5-14(6-8-15)9-10-16/h3-4,16H,2,5-10H2,1H3.
What are the key properties of (5-ethylfuran-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
(5-ethylfuran-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone has a molecular weight of 252.31 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylfuran-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 43427788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).