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

C18H22N2O3 — CID 2450345

IUPAC(2,5-dimethylfuran-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cc(C)oc2C)CC1
InChIInChI=1S/C18H22N2O3/c1-13-12-15(14(2)23-13)18(21)20-10-8-19(9-11-20)16-6-4-5-7-17(16)22-3/h4-7,12H,8-11H2,1-3H3
InChIKeyDQUBKESNBROMKJ-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.87
Rot. Bonds3

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

(2,5-dimethylfuran-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 2450345) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID2450345
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name(2,5-dimethylfuran-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cc(C)oc2C)CC1
InChIInChI=1S/C18H22N2O3/c1-13-12-15(14(2)23-13)18(21)20-10-8-19(9-11-20)16-6-4-5-7-17(16)22-3/h4-7,12H,8-11H2,1-3H3
InChIKeyDQUBKESNBROMKJ-UHFFFAOYSA-N
XLogP2.87
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 2450345) is (2,5-dimethylfuran-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is COc1ccccc1N1CCN(C(=O)c2cc(C)oc2C)CC1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is DQUBKESNBROMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-13-12-15(14(2)23-13)18(21)20-10-8-19(9-11-20)16-6-4-5-7-17(16)22-3/h4-7,12H,8-11H2,1-3H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
(2,5-dimethylfuran-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 314.39 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 2450345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).