(4-benzylpiperazin-1-yl)-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanone

C20H20N4O2 — CID 9071302

IUPAC(4-benzylpiperazin-1-yl)-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2nnco2)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H20N4O2/c25-20(18-8-6-17(7-9-18)19-22-21-15-26-19)24-12-10-23(11-13-24)14-16-4-2-1-3-5-16/h1-9,15H,10-14H2
InChIKeyVDVBJKPFMWIJTQ-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.69
Rot. Bonds4

About (4-benzylpiperazin-1-yl)-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanone

(4-benzylpiperazin-1-yl)-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanone (PubChem CID 9071302) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanone
PubChem CID9071302
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name(4-benzylpiperazin-1-yl)-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2nnco2)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H20N4O2/c25-20(18-8-6-17(7-9-18)19-22-21-15-26-19)24-12-10-23(11-13-24)14-16-4-2-1-3-5-16/h1-9,15H,10-14H2
InChIKeyVDVBJKPFMWIJTQ-UHFFFAOYSA-N
XLogP2.69
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

azepan-1-yl-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanone
CID 8869673
(4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755805
[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 17408822
[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanone
CID 9092492
(4-benzyl-1,4-diazepan-1-yl)-(4-methylphenyl)methanone
CID 23738787
(4-benzylpiperazin-1-yl)-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 110391085
1,3-benzodioxol-5-yl-(4-benzylpiperazin-1-yl)methanone
CID 803605
(4-benzylpiperazin-1-yl)-pyrimidin-5-ylmethanone
CID 110853065
[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 39950040
(4-methylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856605
(1-benzylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226790
[4-(furan-2-yl)phenyl]-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 90649735

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanone (CID 9071302) is (4-benzylpiperazin-1-yl)-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanone is O=C(c1ccc(-c2nnco2)cc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanone?
The InChIKey is VDVBJKPFMWIJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-20(18-8-6-17(7-9-18)19-22-21-15-26-19)24-12-10-23(11-13-24)14-16-4-2-1-3-5-16/h1-9,15H,10-14H2.
What are the key properties of (4-benzylpiperazin-1-yl)-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanone?
(4-benzylpiperazin-1-yl)-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanone has a molecular weight of 348.41 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanone is sourced from PubChem (CID 9071302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).