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

C18H24N4O4 — CID 110395723

IUPAC(3,5-dimethoxyphenyl)-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCN(CCc3nnc(C)o3)CC2)c1
InChIInChI=1S/C18H24N4O4/c1-13-19-20-17(26-13)4-5-21-6-8-22(9-7-21)18(23)14-10-15(24-2)12-16(11-14)25-3/h10-12H,4-9H2,1-3H3
InChIKeyOEIJEHJFVIYGRH-UHFFFAOYSA-N
MW360.41 g/mol
LogP1.40
Rot. Bonds6

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

(3,5-dimethoxyphenyl)-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone (PubChem CID 110395723) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone
PubChem CID110395723
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name(3,5-dimethoxyphenyl)-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCN(CCc3nnc(C)o3)CC2)c1
InChIInChI=1S/C18H24N4O4/c1-13-19-20-17(26-13)4-5-21-6-8-22(9-7-21)18(23)14-10-15(24-2)12-16(11-14)25-3/h10-12H,4-9H2,1-3H3
InChIKeyOEIJEHJFVIYGRH-UHFFFAOYSA-N
XLogP1.40
TPSA80.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3,4-dimethoxyphenyl)-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 110395729
3-(4-methoxyphenyl)-1-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one
CID 110395779
phenyl 4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazine-1-carboxylate
CID 110395770
[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 110395775
3-(2-methoxyphenyl)-1-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one
CID 110395785
N-carbamoyl-3-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]propanamide
CID 35155323
cyclopentyl-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 110395704
(3,5-dimethoxyphenyl)-[4-(1,3-dioxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 122135627
1-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-2,2-diphenylethanone
CID 110395727
phenyl-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 110658449
(3,5-dimethoxyphenyl)-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 35147974
(3,5-dimethoxyphenyl)-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]methanone
CID 32824162

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of (3,5-dimethoxyphenyl)-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone (CID 110395723) is (3,5-dimethoxyphenyl)-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethoxyphenyl)-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for (3,5-dimethoxyphenyl)-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone is COc1cc(OC)cc(C(=O)N2CCN(CCc3nnc(C)o3)CC2)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone?
The InChIKey is OEIJEHJFVIYGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-13-19-20-17(26-13)4-5-21-6-8-22(9-7-21)18(23)14-10-15(24-2)12-16(11-14)25-3/h10-12H,4-9H2,1-3H3.
What are the key properties of (3,5-dimethoxyphenyl)-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone?
(3,5-dimethoxyphenyl)-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone has a molecular weight of 360.41 g/mol, XLogP of 1.40, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 110395723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).