[4-(2,5-dimethylbenzoyl)piperazin-1-yl]-(furan-2-yl)methanone

C18H20N2O3 — CID 38911085

IUPAC[4-(2,5-dimethylbenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESCc1ccc(C)c(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1
InChIInChI=1S/C18H20N2O3/c1-13-5-6-14(2)15(12-13)17(21)19-7-9-20(10-8-19)18(22)16-4-3-11-23-16/h3-6,11-12H,7-10H2,1-2H3
InChIKeyXUCTWEMOELBROJ-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.49
Rot. Bonds2

About [4-(2,5-dimethylbenzoyl)piperazin-1-yl]-(furan-2-yl)methanone

[4-(2,5-dimethylbenzoyl)piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 38911085) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is [4-(2,5-dimethylbenzoyl)piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(2,5-dimethylbenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID38911085
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name[4-(2,5-dimethylbenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESCc1ccc(C)c(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1
InChIInChI=1S/C18H20N2O3/c1-13-5-6-14(2)15(12-13)17(21)19-7-9-20(10-8-19)18(22)16-4-3-11-23-16/h3-6,11-12H,7-10H2,1-2H3
InChIKeyXUCTWEMOELBROJ-UHFFFAOYSA-N
XLogP2.49
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519893
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-hydroxy-5-methylbenzamide
CID 134000252
(2,3-dimethyl-4-pyridinyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 110854793
3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one
CID 55753141
[4-(1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 844559
furan-2-yl-[4-(3-methyl-1,2-thiazole-4-carbonyl)piperazin-1-yl]methanone
CID 71689981
furan-2-yl-[4-[5-(3-methylphenyl)-1H-pyrazole-4-carbonyl]-1,4-diazepan-1-yl]methanone
CID 119069076
furan-2-yl-[4-(2-methoxy-4,6-dimethylbenzoyl)piperazin-1-yl]methanone
CID 110764965
1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-(2-methylphenyl)butane-1,4-dione
CID 110414523
(2R)-N-(2,4-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 9431689
(2,5-dimethylphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 47122985
(2,5-dimethylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2110630

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethylbenzoyl)piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(2,5-dimethylbenzoyl)piperazin-1-yl]-(furan-2-yl)methanone (CID 38911085) is [4-(2,5-dimethylbenzoyl)piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(2,5-dimethylbenzoyl)piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(2,5-dimethylbenzoyl)piperazin-1-yl]-(furan-2-yl)methanone is Cc1ccc(C)c(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1.
What is the InChIKey of [4-(2,5-dimethylbenzoyl)piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is XUCTWEMOELBROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13-5-6-14(2)15(12-13)17(21)19-7-9-20(10-8-19)18(22)16-4-3-11-23-16/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of [4-(2,5-dimethylbenzoyl)piperazin-1-yl]-(furan-2-yl)methanone?
[4-(2,5-dimethylbenzoyl)piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 312.37 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dimethylbenzoyl)piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 38911085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).