4-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-(2-phenylethyl)piperazin-2-one

C16H20N4O2 — CID 72872341

IUPAC4-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-(2-phenylethyl)piperazin-2-one
SMILESCCc1nnc(N2CCN(CCc3ccccc3)C(=O)C2)o1
InChIInChI=1S/C16H20N4O2/c1-2-14-17-18-16(22-14)20-11-10-19(15(21)12-20)9-8-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3
InChIKeyNOKMNCQRQAFAPE-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.52
Rot. Bonds5

About 4-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-(2-phenylethyl)piperazin-2-one

4-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-(2-phenylethyl)piperazin-2-one (PubChem CID 72872341) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-(2-phenylethyl)piperazin-2-one.

Molecular Properties

Compound Name4-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-(2-phenylethyl)piperazin-2-one
PubChem CID72872341
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name4-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-(2-phenylethyl)piperazin-2-one
SMILESCCc1nnc(N2CCN(CCc3ccccc3)C(=O)C2)o1
InChIInChI=1S/C16H20N4O2/c1-2-14-17-18-16(22-14)20-11-10-19(15(21)12-20)9-8-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3
InChIKeyNOKMNCQRQAFAPE-UHFFFAOYSA-N
XLogP1.52
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone
CID 155523831
2,2-dimethyl-N-[2-phenyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]propanamide
CID 53159461
N-{2-Phenyl-1-[5-(piperidin-1-YL)-1,3,4-oxadiazol-2-YL]ethyl}propanamide
CID 53159462
N-[2-phenyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide
CID 53159463
2-Methyl-N-{2-phenyl-1-[5-(piperidin-1-YL)-1,3,4-oxadiazol-2-YL]ethyl}propanamide
CID 53159464
N-[2-phenyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 53159465
(4-Benzylpiperidin-1-yl)-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone
CID 172447875
1-phenyl-N-[2-[5-(1-piperidyl)-1,3,4-oxadiazol-2-yl]ethoxy]ethanimine
CID 15954161
5-Ethyl-N-[2-(4-phenylpiperidin-1-YL)ethyl]-1,3,4-oxadiazol-2-amine
CID 72937354
3-methyl-N-[(1S)-1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]butanamide
CID 95099510
N-[(3R,4S)-3-benzyl-1-methylpiperidin-4-yl]-5-ethyl-1,3,4-oxadiazol-2-amine
CID 164639420
2-[6-ethyl-4-(4-fluoro-3-methylphenyl)-2H-pyridin-1-yl]-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone
CID 123307357

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-(2-phenylethyl)piperazin-2-one?
The IUPAC name of 4-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-(2-phenylethyl)piperazin-2-one (CID 72872341) is 4-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-(2-phenylethyl)piperazin-2-one.
What is the SMILES notation for 4-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-(2-phenylethyl)piperazin-2-one?
The canonical SMILES for 4-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-(2-phenylethyl)piperazin-2-one is CCc1nnc(N2CCN(CCc3ccccc3)C(=O)C2)o1.
What is the InChIKey of 4-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-(2-phenylethyl)piperazin-2-one?
The InChIKey is NOKMNCQRQAFAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-2-14-17-18-16(22-14)20-11-10-19(15(21)12-20)9-8-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3.
What are the key properties of 4-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-(2-phenylethyl)piperazin-2-one?
4-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-(2-phenylethyl)piperazin-2-one has a molecular weight of 300.36 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-(2-phenylethyl)piperazin-2-one is sourced from PubChem (CID 72872341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).