4-(furan-2-carbonyl)-1-(2-methoxy-5-methylphenyl)-3-methylpiperazin-2-one

C18H20N2O4 — CID 24716365

IUPAC4-(furan-2-carbonyl)-1-(2-methoxy-5-methylphenyl)-3-methylpiperazin-2-one
SMILESCOc1ccc(C)cc1N1CCN(C(=O)c2ccco2)C(C)C1=O
InChIInChI=1S/C18H20N2O4/c1-12-6-7-15(23-3)14(11-12)20-9-8-19(13(2)17(20)21)18(22)16-5-4-10-24-16/h4-7,10-11,13H,8-9H2,1-3H3
InChIKeyOIYIOEUCDGLCHI-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.47
Rot. Bonds3

About 4-(furan-2-carbonyl)-1-(2-methoxy-5-methylphenyl)-3-methylpiperazin-2-one

4-(furan-2-carbonyl)-1-(2-methoxy-5-methylphenyl)-3-methylpiperazin-2-one (PubChem CID 24716365) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-(furan-2-carbonyl)-1-(2-methoxy-5-methylphenyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(furan-2-carbonyl)-1-(2-methoxy-5-methylphenyl)-3-methylpiperazin-2-one
PubChem CID24716365
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name4-(furan-2-carbonyl)-1-(2-methoxy-5-methylphenyl)-3-methylpiperazin-2-one
SMILESCOc1ccc(C)cc1N1CCN(C(=O)c2ccco2)C(C)C1=O
InChIInChI=1S/C18H20N2O4/c1-12-6-7-15(23-3)14(11-12)20-9-8-19(13(2)17(20)21)18(22)16-5-4-10-24-16/h4-7,10-11,13H,8-9H2,1-3H3
InChIKeyOIYIOEUCDGLCHI-UHFFFAOYSA-N
XLogP2.47
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(furan-2-carbonyl)-1-(2-methoxyphenyl)-3-methylpiperazin-2-one
CID 24716235
(3R)-1-(2,4-dimethoxyphenyl)-4-(furan-2-carbonyl)-3-methylpiperazin-2-one
CID 93321609
(3S)-1-(2-methoxyphenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one
CID 93292651
(3R)-1-(3,4-dimethoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one
CID 93292424
(3S)-1-(2-fluoro-5-methylphenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one
CID 93321433
(3R)-1-(2-methoxy-5-methylphenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one
CID 93292204
(3S)-1-(2-fluoro-5-methylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 93292476
furan-2-yl-(6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 2898369
(3R)-1-(5-chloro-2-methoxyphenyl)-4-(2-methoxyacetyl)-3-methylpiperazin-2-one
CID 93322109
(3R)-4-(3-bromobenzoyl)-1-(2-methoxyphenyl)-3-methylpiperazin-2-one
CID 93322783
4-(2,4-dichlorobenzoyl)-1-(2,5-dimethoxyphenyl)-3-methylpiperazin-2-one
CID 46036434
(3S)-4-(2,4-dichlorobenzoyl)-1-(2,5-dimethoxyphenyl)-3-methylpiperazin-2-one
CID 93322966

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-carbonyl)-1-(2-methoxy-5-methylphenyl)-3-methylpiperazin-2-one?
The IUPAC name of 4-(furan-2-carbonyl)-1-(2-methoxy-5-methylphenyl)-3-methylpiperazin-2-one (CID 24716365) is 4-(furan-2-carbonyl)-1-(2-methoxy-5-methylphenyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(furan-2-carbonyl)-1-(2-methoxy-5-methylphenyl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(furan-2-carbonyl)-1-(2-methoxy-5-methylphenyl)-3-methylpiperazin-2-one is COc1ccc(C)cc1N1CCN(C(=O)c2ccco2)C(C)C1=O.
What is the InChIKey of 4-(furan-2-carbonyl)-1-(2-methoxy-5-methylphenyl)-3-methylpiperazin-2-one?
The InChIKey is OIYIOEUCDGLCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-12-6-7-15(23-3)14(11-12)20-9-8-19(13(2)17(20)21)18(22)16-5-4-10-24-16/h4-7,10-11,13H,8-9H2,1-3H3.
What are the key properties of 4-(furan-2-carbonyl)-1-(2-methoxy-5-methylphenyl)-3-methylpiperazin-2-one?
4-(furan-2-carbonyl)-1-(2-methoxy-5-methylphenyl)-3-methylpiperazin-2-one has a molecular weight of 328.37 g/mol, XLogP of 2.47, 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)-1-(2-methoxy-5-methylphenyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 24716365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).