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

C18H22N2O3 — CID 7676900

IUPAC(2,5-dimethylfuran-3-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3cc(C)oc3C)CC2)c1
InChIInChI=1S/C18H22N2O3/c1-13-11-17(14(2)23-13)18(21)20-9-7-19(8-10-20)15-5-4-6-16(12-15)22-3/h4-6,11-12H,7-10H2,1-3H3
InChIKeyIEKPCYGUTVQRBV-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.87
Rot. Bonds3

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

(2,5-dimethylfuran-3-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 7676900) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID7676900
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name(2,5-dimethylfuran-3-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3cc(C)oc3C)CC2)c1
InChIInChI=1S/C18H22N2O3/c1-13-11-17(14(2)23-13)18(21)20-9-7-19(8-10-20)15-5-4-6-16(12-15)22-3/h4-6,11-12H,7-10H2,1-3H3
InChIKeyIEKPCYGUTVQRBV-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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Related Compounds

3-Furanylfentanyl
CID 13653684
2,5-dimethyl-N-(2-morpholinophenyl)-3-furamide
CID 2811740
[5-(Tert-butyl)-2-methyl-3-furyl][4-(2-methoxyphenyl)piperazino]methanone
CID 2812051
(2,5-Dimethylfuran-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 7661798
N-(4-fluorophenyl)-1-(2-methyl-3-furoyl)-3-piperidinamine
CID 24817365
2,5-dimethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylfuran-3-carboxamide
CID 25163737
N-(3-Hydroxyphenyl)-2,5-dimethyl-3-furamide
CID 652108
(2,5-Dimethylfuran-3-yl)[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 2916309
(5-Methylfuran-3-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 2920969
(2,5-Dimethylfuran-3-yl)(4-phenylpiperazin-1-yl)methanone
CID 2366104
2-Methyl-furan-3-carboxylic acid [cyclopentylcarbamoyl-(4-methoxy-phenyl)-methyl]-phenyl-amide
CID 3207844
4-(2,5-Dimethyl-3-furoyl)-2-methyl-1-(3-methylphenyl)piperazine
CID 3418820

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (CID 7676900) is (2,5-dimethylfuran-3-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is COc1cccc(N2CCN(C(=O)c3cc(C)oc3C)CC2)c1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is IEKPCYGUTVQRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-13-11-17(14(2)23-13)18(21)20-9-7-19(8-10-20)15-5-4-6-16(12-15)22-3/h4-6,11-12H,7-10H2,1-3H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
(2,5-dimethylfuran-3-yl)-[4-(3-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-(3-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 7676900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).