2,2-dimethyl-1-[2-methyl-4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)acetyl]piperazin-1-yl]propan-1-one

C20H26N4O3 — CID 3529583

IUPAC2,2-dimethyl-1-[2-methyl-4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)acetyl]piperazin-1-yl]propan-1-one
SMILESCC1CN(C(=O)Cc2noc(-c3ccccc3)n2)CCN1C(=O)C(C)(C)C
InChIInChI=1S/C20H26N4O3/c1-14-13-23(10-11-24(14)19(26)20(2,3)4)17(25)12-16-21-18(27-22-16)15-8-6-5-7-9-15/h5-9,14H,10-13H2,1-4H3
InChIKeyCIZKUDOCJCFSOC-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.38
Rot. Bonds3

About 2,2-dimethyl-1-[2-methyl-4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)acetyl]piperazin-1-yl]propan-1-one

2,2-dimethyl-1-[2-methyl-4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)acetyl]piperazin-1-yl]propan-1-one (PubChem CID 3529583) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2,2-dimethyl-1-[2-methyl-4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)acetyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[2-methyl-4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)acetyl]piperazin-1-yl]propan-1-one
PubChem CID3529583
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name2,2-dimethyl-1-[2-methyl-4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)acetyl]piperazin-1-yl]propan-1-one
SMILESCC1CN(C(=O)Cc2noc(-c3ccccc3)n2)CCN1C(=O)C(C)(C)C
InChIInChI=1S/C20H26N4O3/c1-14-13-23(10-11-24(14)19(26)20(2,3)4)17(25)12-16-21-18(27-22-16)15-8-6-5-7-9-15/h5-9,14H,10-13H2,1-4H3
InChIKeyCIZKUDOCJCFSOC-UHFFFAOYSA-N
XLogP2.38
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-2,2-dimethyl-1-[2-methyl-4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)acetyl]piperazin-1-yl]propan-1-one
CID 4211921
2-methyl-1-[(2S)-2-methyl-4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)acetyl]piperazin-1-yl]propan-1-one
CID 7217068
1-[(2R)-4-[2-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]acetyl]-2-methylpiperazin-1-yl]-2,2-dimethylpropan-1-one
CID 7218726
1-[4-[2-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]acetyl]-2-methylpiperazin-1-yl]-2,2-dimethylpropan-1-one
CID 3688994
1-[(2S)-2-methyl-4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)acetyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 7201767
2-methyl-1-[2-methyl-4-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]acetyl]piperazin-1-yl]propan-1-one
CID 4031832
3-chloro-2,2-dimethyl-1-[2-methyl-4-[2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]acetyl]piperazin-1-yl]propan-1-one
CID 3439067
1-[(3R)-4-(2-bromobenzoyl)-3-methylpiperazin-1-yl]-2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanone
CID 92518123
2-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1-[3-methyl-4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]ethanone
CID 4540955
1-[3-methyl-4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanone
CID 3439077
2-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-(3-methylpiperazin-1-yl)ethanone
CID 42764952
2-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide
CID 71279247

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[2-methyl-4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)acetyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[2-methyl-4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)acetyl]piperazin-1-yl]propan-1-one (CID 3529583) is 2,2-dimethyl-1-[2-methyl-4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)acetyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[2-methyl-4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)acetyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[2-methyl-4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)acetyl]piperazin-1-yl]propan-1-one is CC1CN(C(=O)Cc2noc(-c3ccccc3)n2)CCN1C(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-[2-methyl-4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)acetyl]piperazin-1-yl]propan-1-one?
The InChIKey is CIZKUDOCJCFSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-14-13-23(10-11-24(14)19(26)20(2,3)4)17(25)12-16-21-18(27-22-16)15-8-6-5-7-9-15/h5-9,14H,10-13H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-[2-methyl-4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)acetyl]piperazin-1-yl]propan-1-one?
2,2-dimethyl-1-[2-methyl-4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)acetyl]piperazin-1-yl]propan-1-one has a molecular weight of 370.45 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[2-methyl-4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)acetyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 3529583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).