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

C15H24N2O3 — CID 95350387

IUPAC(5-ethylfuran-2-yl)-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCN(C[C@H](O)CC)CC2)o1
InChIInChI=1S/C15H24N2O3/c1-3-12(18)11-16-7-9-17(10-8-16)15(19)14-6-5-13(4-2)20-14/h5-6,12,18H,3-4,7-11H2,1-2H3/t12-/m1/s1
InChIKeyFQVMXWNBZPVKEF-GFCCVEGCSA-N
MW280.37 g/mol
LogP1.37
Rot. Bonds5

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

(5-ethylfuran-2-yl)-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone (PubChem CID 95350387) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is (5-ethylfuran-2-yl)-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethylfuran-2-yl)-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone
PubChem CID95350387
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name(5-ethylfuran-2-yl)-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCN(C[C@H](O)CC)CC2)o1
InChIInChI=1S/C15H24N2O3/c1-3-12(18)11-16-7-9-17(10-8-16)15(19)14-6-5-13(4-2)20-14/h5-6,12,18H,3-4,7-11H2,1-2H3/t12-/m1/s1
InChIKeyFQVMXWNBZPVKEF-GFCCVEGCSA-N
XLogP1.37
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chlorofuran-2-yl)-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone
CID 95346804
(5-ethylfuran-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43427788
[5-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]-[4-(2-hydroxybutyl)piperazin-1-yl]methanone
CID 86895803
5-[4-(2-hydroxybutyl)piperazine-1-carbonyl]-N-methylfuran-2-sulfonamide
CID 56803099
2-[4-(5-ethylfuran-2-carbonyl)piperazin-1-yl]acetonitrile
CID 79001404
1-(5-ethylfuran-2-carbonyl)piperidin-4-one
CID 79095458
[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(2-methylfuran-3-yl)methanone
CID 95312025
N-[[4-[4-[(2S)-2-hydroxybutyl]piperazine-1-carbonyl]phenyl]methyl]acetamide
CID 95342576
(5-ethylfuran-2-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 38482077
[4-(5-ethylfuran-2-carbonyl)-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone
CID 78862101
2-(4-fluorophenyl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone
CID 95337967
4-ethyl-1-(5-ethylfuran-2-carbonyl)piperidine-4-carboxylic acid
CID 63125392

Frequently Asked Questions

What is the IUPAC name of (5-ethylfuran-2-yl)-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone?
The IUPAC name of (5-ethylfuran-2-yl)-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone (CID 95350387) is (5-ethylfuran-2-yl)-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-ethylfuran-2-yl)-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone?
The canonical SMILES for (5-ethylfuran-2-yl)-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone is CCc1ccc(C(=O)N2CCN(C[C@H](O)CC)CC2)o1.
What is the InChIKey of (5-ethylfuran-2-yl)-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone?
The InChIKey is FQVMXWNBZPVKEF-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-12(18)11-16-7-9-17(10-8-16)15(19)14-6-5-13(4-2)20-14/h5-6,12,18H,3-4,7-11H2,1-2H3/t12-/m1/s1.
What are the key properties of (5-ethylfuran-2-yl)-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone?
(5-ethylfuran-2-yl)-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone has a molecular weight of 280.37 g/mol, XLogP of 1.37, 5 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-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone is sourced from PubChem (CID 95350387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).