[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone

C18H22N2O2 — CID 2932834

IUPAC[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1cccc(N2CCN(C(=O)c3ccoc3C)CC2)c1C
InChIInChI=1S/C18H22N2O2/c1-13-5-4-6-17(14(13)2)19-8-10-20(11-9-19)18(21)16-7-12-22-15(16)3/h4-7,12H,8-11H2,1-3H3
InChIKeyDVPZYAJIRYWAKN-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.17
Rot. Bonds2

About [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone

[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone (PubChem CID 2932834) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone
PubChem CID2932834
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1cccc(N2CCN(C(=O)c3ccoc3C)CC2)c1C
InChIInChI=1S/C18H22N2O2/c1-13-5-4-6-17(14(13)2)19-8-10-20(11-9-19)18(21)16-7-12-22-15(16)3/h4-7,12H,8-11H2,1-3H3
InChIKeyDVPZYAJIRYWAKN-UHFFFAOYSA-N
XLogP3.17
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 673636
(2-chlorofuran-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 106685645
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 110695733
[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 4615764
5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
CID 84556281
(4-aminophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 28722555
(4-bromophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 1221745
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-ethylsulfanylphenyl)methanone
CID 4631912
(2-anilinophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 27259352
(3,5-dichlorophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 26881725
5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one
CID 110693026
(2-methylfuran-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 47024442

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone?
The IUPAC name of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone (CID 2932834) is [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone?
The canonical SMILES for [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone is Cc1cccc(N2CCN(C(=O)c3ccoc3C)CC2)c1C.
What is the InChIKey of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone?
The InChIKey is DVPZYAJIRYWAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13-5-4-6-17(14(13)2)19-8-10-20(11-9-19)18(21)16-7-12-22-15(16)3/h4-7,12H,8-11H2,1-3H3.
What are the key properties of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone?
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone has a molecular weight of 298.39 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 2932834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).