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

C23H26N4O2 — CID 110395727

IUPAC1-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-2,2-diphenylethanone
SMILESCc1nnc(CCN2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)o1
InChIInChI=1S/C23H26N4O2/c1-18-24-25-21(29-18)12-13-26-14-16-27(17-15-26)23(28)22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,22H,12-17H2,1H3
InChIKeyJOWZYTJJCCVLBC-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.90
Rot. Bonds6

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

1-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-2,2-diphenylethanone (PubChem CID 110395727) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-2,2-diphenylethanone.

Molecular Properties

Compound Name1-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-2,2-diphenylethanone
PubChem CID110395727
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name1-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-2,2-diphenylethanone
SMILESCc1nnc(CCN2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)o1
InChIInChI=1S/C23H26N4O2/c1-18-24-25-21(29-18)12-13-26-14-16-27(17-15-26)23(28)22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,22H,12-17H2,1H3
InChIKeyJOWZYTJJCCVLBC-UHFFFAOYSA-N
XLogP2.90
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-2,2-diphenylethanone with MolForge

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Related Compounds

phenyl 4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazine-1-carboxylate
CID 110395770
2,2-diphenyl-1-(4-propylpiperazin-1-yl)ethanone
CID 11232518
2-methyl-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one
CID 110658439
[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 110395775
2-ethyl-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]butan-1-one
CID 110658447
3-(2-methoxyphenyl)-1-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one
CID 110395785
1-(4-ethylpiperazin-1-yl)-2,2-diphenylethanone
CID 2303179
2,2-diphenyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone
CID 90508606
1-[4-(2-methylsulfonylethyl)piperazin-1-yl]-2,2-diphenylethanone
CID 95753443
cyclopentyl-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 110395704
N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]acetamide
CID 70630292
(3,4-dimethoxyphenyl)-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 110395729

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-2,2-diphenylethanone?
The IUPAC name of 1-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-2,2-diphenylethanone (CID 110395727) is 1-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-2,2-diphenylethanone.
What is the SMILES notation for 1-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-2,2-diphenylethanone?
The canonical SMILES for 1-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-2,2-diphenylethanone is Cc1nnc(CCN2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)o1.
What is the InChIKey of 1-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-2,2-diphenylethanone?
The InChIKey is JOWZYTJJCCVLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-18-24-25-21(29-18)12-13-26-14-16-27(17-15-26)23(28)22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,22H,12-17H2,1H3.
What are the key properties of 1-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-2,2-diphenylethanone?
1-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-2,2-diphenylethanone has a molecular weight of 390.49 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-2,2-diphenylethanone is sourced from PubChem (CID 110395727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).