[4-(furan-2-carbonyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone

C17H18N2O3S — CID 34469189

IUPAC[4-(furan-2-carbonyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone
SMILESCSc1ccccc1C(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H18N2O3S/c1-23-15-7-3-2-5-13(15)16(20)18-8-10-19(11-9-18)17(21)14-6-4-12-22-14/h2-7,12H,8-11H2,1H3
InChIKeyWOHVZASZABTNIE-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.60
Rot. Bonds3

About [4-(furan-2-carbonyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone

[4-(furan-2-carbonyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone (PubChem CID 34469189) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is [4-(furan-2-carbonyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name[4-(furan-2-carbonyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone
PubChem CID34469189
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name[4-(furan-2-carbonyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone
SMILESCSc1ccccc1C(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H18N2O3S/c1-23-15-7-3-2-5-13(15)16(20)18-8-10-19(11-9-18)17(21)14-6-4-12-22-14/h2-7,12H,8-11H2,1H3
InChIKeyWOHVZASZABTNIE-UHFFFAOYSA-N
XLogP2.60
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2,5-dimethylbenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38911085
(2-methylsulfanylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2707478
2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51305621
azepan-1-yl(furan-2-yl)methanone
CID 5200992
furan-2-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 21026314
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110796817
(2,3-dimethyl-4-pyridinyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 110854793
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 2348009
furan-2-yl-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]methanone
CID 95344609
furan-2-yl-[4-(3-methyl-1,2-thiazole-4-carbonyl)piperazin-1-yl]methanone
CID 71689981
[4-(1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 844559
[4-(furan-2-carbonyl)piperazin-1-yl]-(4-propan-2-ylsulfanylphenyl)methanone
CID 55833595

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-carbonyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone?
The IUPAC name of [4-(furan-2-carbonyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone (CID 34469189) is [4-(furan-2-carbonyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone.
What is the SMILES notation for [4-(furan-2-carbonyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone?
The canonical SMILES for [4-(furan-2-carbonyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone is CSc1ccccc1C(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of [4-(furan-2-carbonyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone?
The InChIKey is WOHVZASZABTNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-23-15-7-3-2-5-13(15)16(20)18-8-10-19(11-9-18)17(21)14-6-4-12-22-14/h2-7,12H,8-11H2,1H3.
What are the key properties of [4-(furan-2-carbonyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone?
[4-(furan-2-carbonyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone has a molecular weight of 330.41 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-carbonyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone is sourced from PubChem (CID 34469189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).