1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione

C18H20N2O4S — CID 32532204

IUPAC1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione
SMILESCc1ccc(C(=O)CCC(=O)N2CCN(C(=O)c3ccoc3)CC2)s1
InChIInChI=1S/C18H20N2O4S/c1-13-2-4-16(25-13)15(21)3-5-17(22)19-7-9-20(10-8-19)18(23)14-6-11-24-12-14/h2,4,6,11-12H,3,5,7-10H2,1H3
InChIKeySVVSHXQZARGYDH-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.60
Rot. Bonds5

About 1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione

1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione (PubChem CID 32532204) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione.

Molecular Properties

Compound Name1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione
PubChem CID32532204
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione
SMILESCc1ccc(C(=O)CCC(=O)N2CCN(C(=O)c3ccoc3)CC2)s1
InChIInChI=1S/C18H20N2O4S/c1-13-2-4-16(25-13)15(21)3-5-17(22)19-7-9-20(10-8-19)18(23)14-6-11-24-12-14/h2,4,6,11-12H,3,5,7-10H2,1H3
InChIKeySVVSHXQZARGYDH-UHFFFAOYSA-N
XLogP2.60
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione with MolForge

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Related Compounds

1-(3,4-dimethylphenyl)-4-[4-(furan-3-carbonyl)piperazin-1-yl]butane-1,4-dione
CID 32533921
1-(4-ethylphenyl)-4-[4-(furan-3-carbonyl)piperazin-1-yl]butane-1,4-dione
CID 32528448
4-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-4-oxobutanamide
CID 155937619
1-[4-(3,3-dimethylbutyl)piperazin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione
CID 55906191
1-(5-methylthiophen-2-yl)-7-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]heptane-1,4,7-trione
CID 43073096
1-[4-(furan-3-carbonyl)piperazin-1-yl]octan-1-one
CID 134022004
1-[4-(4-acetylphenyl)piperazin-1-yl]-7-(5-methylthiophen-2-yl)heptane-1,4,7-trione
CID 55601572
1-(5-methylthiophen-2-yl)-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]butane-1,4-dione
CID 9117256
1-[4-(2-cyclopentylacetyl)piperazin-1-yl]-7-(5-methylthiophen-2-yl)heptane-1,4,7-trione
CID 55631701
1-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]octan-1-one
CID 60551588
4-[3-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-3-oxopropyl]benzoic acid
CID 120549555
3-(4-tert-butylphenyl)-1-[4-(furan-3-carbonyl)piperazin-1-yl]propan-1-one
CID 32532383

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione?
The IUPAC name of 1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione (CID 32532204) is 1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione.
What is the SMILES notation for 1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione?
The canonical SMILES for 1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione is Cc1ccc(C(=O)CCC(=O)N2CCN(C(=O)c3ccoc3)CC2)s1.
What is the InChIKey of 1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione?
The InChIKey is SVVSHXQZARGYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-13-2-4-16(25-13)15(21)3-5-17(22)19-7-9-20(10-8-19)18(23)14-6-11-24-12-14/h2,4,6,11-12H,3,5,7-10H2,1H3.
What are the key properties of 1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione?
1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione has a molecular weight of 360.44 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione is sourced from PubChem (CID 32532204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).