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

C19H24N2O2 — CID 3418820

IUPAC(2,5-dimethylfuran-3-yl)-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3cc(C)oc3C)CC2C)c1
InChIInChI=1S/C19H24N2O2/c1-13-6-5-7-17(10-13)21-9-8-20(12-14(21)2)19(22)18-11-15(3)23-16(18)4/h5-7,10-11,14H,8-9,12H2,1-4H3
InChIKeyTXIJPKOVTIIBAP-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.56
Rot. Bonds2

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

(2,5-dimethylfuran-3-yl)-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone (PubChem CID 3418820) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
PubChem CID3418820
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name(2,5-dimethylfuran-3-yl)-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3cc(C)oc3C)CC2C)c1
InChIInChI=1S/C19H24N2O2/c1-13-6-5-7-17(10-13)21-9-8-20(12-14(21)2)19(22)18-11-15(3)23-16(18)4/h5-7,10-11,14H,8-9,12H2,1-4H3
InChIKeyTXIJPKOVTIIBAP-UHFFFAOYSA-N
XLogP3.56
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone (CID 3418820) is (2,5-dimethylfuran-3-yl)-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone is Cc1cccc(N2CCN(C(=O)c3cc(C)oc3C)CC2C)c1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is TXIJPKOVTIIBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13-6-5-7-17(10-13)21-9-8-20(12-14(21)2)19(22)18-11-15(3)23-16(18)4/h5-7,10-11,14H,8-9,12H2,1-4H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone?
(2,5-dimethylfuran-3-yl)-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 312.41 g/mol, XLogP of 3.56, 2 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)-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 3418820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).