[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone

C18H22N2O2 — CID 844431

IUPAC[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)o1
InChIInChI=1S/C18H22N2O2/c1-13-5-4-6-16(15(13)3)19-9-11-20(12-10-19)18(21)17-8-7-14(2)22-17/h4-8H,9-12H2,1-3H3
InChIKeyMNHRIKCIAMIALA-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.17
Rot. Bonds2

About [4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone

[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone (PubChem CID 844431) 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]-(5-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone
PubChem CID844431
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)o1
InChIInChI=1S/C18H22N2O2/c1-13-5-4-6-16(15(13)3)19-9-11-20(12-10-19)18(21)17-8-7-14(2)22-17/h4-8H,9-12H2,1-3H3
InChIKeyMNHRIKCIAMIALA-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

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5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]furan-2-carboxamide
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3-Methylfuranylfentanyl
CID 13653754
N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide
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N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 152426927
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CID 691566

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone?
The IUPAC name of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone (CID 844431) is [4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone.
What is the SMILES notation for [4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone?
The canonical SMILES for [4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone is Cc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)o1.
What is the InChIKey of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone?
The InChIKey is MNHRIKCIAMIALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13-5-4-6-16(15(13)3)19-9-11-20(12-10-19)18(21)17-8-7-14(2)22-17/h4-8H,9-12H2,1-3H3.
What are the key properties of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone?
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methylfuran-2-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]-(5-methylfuran-2-yl)methanone is sourced from PubChem (CID 844431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).