4-[[4-[(1R)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methyl]-2,1,3-benzoxadiazole

C20H24N4O2 — CID 124885455

IUPAC4-[[4-[(1R)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methyl]-2,1,3-benzoxadiazole
SMILESCOc1cccc([C@@H](C)N2CCN(Cc3cccc4nonc34)CC2)c1
InChIInChI=1S/C20H24N4O2/c1-15(16-5-3-7-18(13-16)25-2)24-11-9-23(10-12-24)14-17-6-4-8-19-20(17)22-26-21-19/h3-8,13,15H,9-12,14H2,1-2H3/t15-/m1/s1
InChIKeyYZJQHOFFCOFAGJ-OAHLLOKOSA-N
MW352.44 g/mol
LogP3.11
Rot. Bonds5

About 4-[[4-[(1R)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methyl]-2,1,3-benzoxadiazole

4-[[4-[(1R)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methyl]-2,1,3-benzoxadiazole (PubChem CID 124885455) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 4-[[4-[(1R)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methyl]-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name4-[[4-[(1R)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methyl]-2,1,3-benzoxadiazole
PubChem CID124885455
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name4-[[4-[(1R)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methyl]-2,1,3-benzoxadiazole
SMILESCOc1cccc([C@@H](C)N2CCN(Cc3cccc4nonc34)CC2)c1
InChIInChI=1S/C20H24N4O2/c1-15(16-5-3-7-18(13-16)25-2)24-11-9-23(10-12-24)14-17-6-4-8-19-20(17)22-26-21-19/h3-8,13,15H,9-12,14H2,1-2H3/t15-/m1/s1
InChIKeyYZJQHOFFCOFAGJ-OAHLLOKOSA-N
XLogP3.11
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[4-[(1R)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methyl]-2,1,3-benzoxadiazole with MolForge

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Related Compounds

2-cyclopropyl-5-[[4-[(1R)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 95331326
1-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(2-methylsulfonylethyl)piperazine
CID 124606516
1-[1-(3-methoxyphenyl)ethyl]-4-(2-methylsulfonylethyl)piperazine
CID 122133686
4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2,1,3-benzoxadiazole
CID 56911032
1-[1-(3-methoxyphenyl)ethyl]-4-[2-(1-methylpyrazol-4-yl)ethyl]piperazine
CID 122142087
3-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982661
1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704346
3-(2-aminophenyl)-1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one
CID 120612989
2-[(1R)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole
CID 95579457
(2R)-2-amino-1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119877596
1-(benzenesulfonyl)-4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazine
CID 95760565
3-amino-1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]butan-1-one;dihydrochloride
CID 119877620

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(1R)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methyl]-2,1,3-benzoxadiazole?
The IUPAC name of 4-[[4-[(1R)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methyl]-2,1,3-benzoxadiazole (CID 124885455) is 4-[[4-[(1R)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methyl]-2,1,3-benzoxadiazole.
What is the SMILES notation for 4-[[4-[(1R)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methyl]-2,1,3-benzoxadiazole?
The canonical SMILES for 4-[[4-[(1R)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methyl]-2,1,3-benzoxadiazole is COc1cccc([C@@H](C)N2CCN(Cc3cccc4nonc34)CC2)c1.
What is the InChIKey of 4-[[4-[(1R)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methyl]-2,1,3-benzoxadiazole?
The InChIKey is YZJQHOFFCOFAGJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-15(16-5-3-7-18(13-16)25-2)24-11-9-23(10-12-24)14-17-6-4-8-19-20(17)22-26-21-19/h3-8,13,15H,9-12,14H2,1-2H3/t15-/m1/s1.
What are the key properties of 4-[[4-[(1R)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methyl]-2,1,3-benzoxadiazole?
4-[[4-[(1R)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methyl]-2,1,3-benzoxadiazole has a molecular weight of 352.44 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(1R)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methyl]-2,1,3-benzoxadiazole is sourced from PubChem (CID 124885455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).