(3,5-dimethoxyphenyl)-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]methanone

C20H24N2O5 — CID 32824162

IUPAC(3,5-dimethoxyphenyl)-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCN(C(=O)c3cc(C)oc3C)CC2)c1
InChIInChI=1S/C20H24N2O5/c1-13-9-18(14(2)27-13)20(24)22-7-5-21(6-8-22)19(23)15-10-16(25-3)12-17(11-15)26-4/h9-12H,5-8H2,1-4H3
InChIKeyTZHFNAYIFZNXJP-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.51
Rot. Bonds4

About (3,5-dimethoxyphenyl)-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]methanone

(3,5-dimethoxyphenyl)-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]methanone (PubChem CID 32824162) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]methanone
PubChem CID32824162
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name(3,5-dimethoxyphenyl)-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCN(C(=O)c3cc(C)oc3C)CC2)c1
InChIInChI=1S/C20H24N2O5/c1-13-9-18(14(2)27-13)20(24)22-7-5-21(6-8-22)19(23)15-10-16(25-3)12-17(11-15)26-4/h9-12H,5-8H2,1-4H3
InChIKeyTZHFNAYIFZNXJP-UHFFFAOYSA-N
XLogP2.51
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]ethanone
CID 2101213
[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 1148027
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2,5-dimethylfuran-3-yl)methanone
CID 110855212
(3,5-dimethoxyphenyl)-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]methanone
CID 110645846
4-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90628984
(2,5-dimethylfuran-3-yl)-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 93480756
(3,5-dimethoxyphenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 18152981
1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]propan-1-one
CID 32823717
(5-bromofuran-2-yl)-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]methanone
CID 32823800
(2,5-dimethylfuran-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 78802306
methyl 4-[2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]ethoxy]benzoate
CID 55827793
1-[4-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 25332880

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (3,5-dimethoxyphenyl)-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]methanone (CID 32824162) is (3,5-dimethoxyphenyl)-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethoxyphenyl)-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (3,5-dimethoxyphenyl)-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]methanone is COc1cc(OC)cc(C(=O)N2CCN(C(=O)c3cc(C)oc3C)CC2)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]methanone?
The InChIKey is TZHFNAYIFZNXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-13-9-18(14(2)27-13)20(24)22-7-5-21(6-8-22)19(23)15-10-16(25-3)12-17(11-15)26-4/h9-12H,5-8H2,1-4H3.
What are the key properties of (3,5-dimethoxyphenyl)-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]methanone?
(3,5-dimethoxyphenyl)-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]methanone has a molecular weight of 372.42 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 32824162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).