(3,4-dimethoxyphenyl)-[4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone

C20H28N4O4 — CID 55746554

IUPAC(3,4-dimethoxyphenyl)-[4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(Cc3noc(CC(C)C)n3)CC2)cc1OC
InChIInChI=1S/C20H28N4O4/c1-14(2)11-19-21-18(22-28-19)13-23-7-9-24(10-8-23)20(25)15-5-6-16(26-3)17(12-15)27-4/h5-6,12,14H,7-11,13H2,1-4H3
InChIKeyQCAZHNLOUYSOIH-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.24
Rot. Bonds7

About (3,4-dimethoxyphenyl)-[4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone

(3,4-dimethoxyphenyl)-[4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone (PubChem CID 55746554) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-[4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-[4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone
PubChem CID55746554
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC Name(3,4-dimethoxyphenyl)-[4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(Cc3noc(CC(C)C)n3)CC2)cc1OC
InChIInChI=1S/C20H28N4O4/c1-14(2)11-19-21-18(22-28-19)13-23-7-9-24(10-8-23)20(25)15-5-6-16(26-3)17(12-15)27-4/h5-6,12,14H,7-11,13H2,1-4H3
InChIKeyQCAZHNLOUYSOIH-UHFFFAOYSA-N
XLogP2.24
TPSA80.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3-ethoxy-4-methoxyphenyl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
CID 86908243
(3,4-dimethoxyphenyl)-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone
CID 9109670
(3-methoxy-4-phenylmethoxyphenyl)-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 86878712
(3,4-dimethoxyphenyl)-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1131708
(3,4-dimethoxyphenyl)-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]methanone
CID 1015165
[4-[[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 32641638
5-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole
CID 30669379
(3,4-dimethoxyphenyl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 38470579
(3,4-dimethoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 21209978
(3,4-dimethoxyphenyl)-[4-[(3-propan-2-yloxyphenyl)methyl]piperazin-1-yl]methanone
CID 55832003
(3,4-dimethoxyphenyl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 30463113
[4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 1131754

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-[4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-[4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone (CID 55746554) is (3,4-dimethoxyphenyl)-[4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-[4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-[4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone is COc1ccc(C(=O)N2CCN(Cc3noc(CC(C)C)n3)CC2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-[4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is QCAZHNLOUYSOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4/c1-14(2)11-19-21-18(22-28-19)13-23-7-9-24(10-8-23)20(25)15-5-6-16(26-3)17(12-15)27-4/h5-6,12,14H,7-11,13H2,1-4H3.
What are the key properties of (3,4-dimethoxyphenyl)-[4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone?
(3,4-dimethoxyphenyl)-[4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 388.47 g/mol, XLogP of 2.24, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-[4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 55746554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).