(3R)-1-(2,4-dimethoxyphenyl)-4-(furan-2-carbonyl)-3-methylpiperazin-2-one

C18H20N2O5 — CID 93321609

IUPAC(3R)-1-(2,4-dimethoxyphenyl)-4-(furan-2-carbonyl)-3-methylpiperazin-2-one
SMILESCOc1ccc(N2CCN(C(=O)c3ccco3)[C@H](C)C2=O)c(OC)c1
InChIInChI=1S/C18H20N2O5/c1-12-17(21)20(14-7-6-13(23-2)11-16(14)24-3)9-8-19(12)18(22)15-5-4-10-25-15/h4-7,10-12H,8-9H2,1-3H3/t12-/m1/s1
InChIKeyWIYKEZYJZDLKQT-GFCCVEGCSA-N
MW344.37 g/mol
LogP2.17
Rot. Bonds4

About (3R)-1-(2,4-dimethoxyphenyl)-4-(furan-2-carbonyl)-3-methylpiperazin-2-one

(3R)-1-(2,4-dimethoxyphenyl)-4-(furan-2-carbonyl)-3-methylpiperazin-2-one (PubChem CID 93321609) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is (3R)-1-(2,4-dimethoxyphenyl)-4-(furan-2-carbonyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name(3R)-1-(2,4-dimethoxyphenyl)-4-(furan-2-carbonyl)-3-methylpiperazin-2-one
PubChem CID93321609
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name(3R)-1-(2,4-dimethoxyphenyl)-4-(furan-2-carbonyl)-3-methylpiperazin-2-one
SMILESCOc1ccc(N2CCN(C(=O)c3ccco3)[C@H](C)C2=O)c(OC)c1
InChIInChI=1S/C18H20N2O5/c1-12-17(21)20(14-7-6-13(23-2)11-16(14)24-3)9-8-19(12)18(22)15-5-4-10-25-15/h4-7,10-12H,8-9H2,1-3H3/t12-/m1/s1
InChIKeyWIYKEZYJZDLKQT-GFCCVEGCSA-N
XLogP2.17
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(furan-2-carbonyl)-1-(2-methoxyphenyl)-3-methylpiperazin-2-one
CID 24716235
4-(furan-2-carbonyl)-1-(2-methoxy-5-methylphenyl)-3-methylpiperazin-2-one
CID 24716365
1-(2,4-dimethoxyphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one
CID 24716164
N-(3-chlorophenyl)-4-(2,4-dimethoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide
CID 46036574
furan-2-yl-(6-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110663052
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
4-(benzenesulfonyl)-1-(2,4-dimethoxyphenyl)-3-methylpiperazin-2-one
CID 42847493
(3R)-4-(2-methoxybenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
CID 93322353
1-(2,5-dimethoxyphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one
CID 24715908
(3S)-1-(2-methoxyphenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one
CID 93292651
1-(2,4-dichlorophenyl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one
CID 46036549

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,4-dimethoxyphenyl)-4-(furan-2-carbonyl)-3-methylpiperazin-2-one?
The IUPAC name of (3R)-1-(2,4-dimethoxyphenyl)-4-(furan-2-carbonyl)-3-methylpiperazin-2-one (CID 93321609) is (3R)-1-(2,4-dimethoxyphenyl)-4-(furan-2-carbonyl)-3-methylpiperazin-2-one.
What is the SMILES notation for (3R)-1-(2,4-dimethoxyphenyl)-4-(furan-2-carbonyl)-3-methylpiperazin-2-one?
The canonical SMILES for (3R)-1-(2,4-dimethoxyphenyl)-4-(furan-2-carbonyl)-3-methylpiperazin-2-one is COc1ccc(N2CCN(C(=O)c3ccco3)[C@H](C)C2=O)c(OC)c1.
What is the InChIKey of (3R)-1-(2,4-dimethoxyphenyl)-4-(furan-2-carbonyl)-3-methylpiperazin-2-one?
The InChIKey is WIYKEZYJZDLKQT-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-12-17(21)20(14-7-6-13(23-2)11-16(14)24-3)9-8-19(12)18(22)15-5-4-10-25-15/h4-7,10-12H,8-9H2,1-3H3/t12-/m1/s1.
What are the key properties of (3R)-1-(2,4-dimethoxyphenyl)-4-(furan-2-carbonyl)-3-methylpiperazin-2-one?
(3R)-1-(2,4-dimethoxyphenyl)-4-(furan-2-carbonyl)-3-methylpiperazin-2-one has a molecular weight of 344.37 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,4-dimethoxyphenyl)-4-(furan-2-carbonyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 93321609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).