(2,5-dimethylfuran-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone

C15H24N2O2 — CID 78802306

IUPAC(2,5-dimethylfuran-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(CC(C)C)CC2)c(C)o1
InChIInChI=1S/C15H24N2O2/c1-11(2)10-16-5-7-17(8-6-16)15(18)14-9-12(3)19-13(14)4/h9,11H,5-8,10H2,1-4H3
InChIKeyUTBBWMLFKYCAHD-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.31
Rot. Bonds3

About (2,5-dimethylfuran-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone

(2,5-dimethylfuran-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone (PubChem CID 78802306) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
PubChem CID78802306
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(2,5-dimethylfuran-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(CC(C)C)CC2)c(C)o1
InChIInChI=1S/C15H24N2O2/c1-11(2)10-16-5-7-17(8-6-16)15(18)14-9-12(3)19-13(14)4/h9,11H,5-8,10H2,1-4H3
InChIKeyUTBBWMLFKYCAHD-UHFFFAOYSA-N
XLogP2.31
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]ethanone
CID 2101213
[4-(3-aminopropyl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 43251237
(2,5-dimethylfuran-3-yl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 63308395
(4-hydroxy-2-methylphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 103863563
(2,5-dimethylfuran-3-yl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone;hydrochloride
CID 71782745
methyl 5-[[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]methyl]-2-methylfuran-3-carboxylate
CID 78898993
(2,5-dimethylfuran-3-yl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
CID 71788591
2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-methyl-2-oxoethanesulfonamide
CID 136513320
(2S)-2-amino-1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride
CID 119740241
[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 31331971
[4-(1-aminopentan-2-yl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 63340905
(2,5-dibromophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 114371674

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone (CID 78802306) is (2,5-dimethylfuran-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone is Cc1cc(C(=O)N2CCN(CC(C)C)CC2)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The InChIKey is UTBBWMLFKYCAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)10-16-5-7-17(8-6-16)15(18)14-9-12(3)19-13(14)4/h9,11H,5-8,10H2,1-4H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
(2,5-dimethylfuran-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone has a molecular weight of 264.37 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 78802306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).