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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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).