2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]acetamide

C18H31N5O3 — CID 56913488

IUPAC2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCCc1noc(CN(CC)C(=O)CC2C(=O)NCCN2CC(C)(C)C)n1
InChIInChI=1S/C18H31N5O3/c1-6-14-20-15(26-21-14)11-22(7-2)16(24)10-13-17(25)19-8-9-23(13)12-18(3,4)5/h13H,6-12H2,1-5H3,(H,19,25)
InChIKeyJBXUAFKKUZMUCD-UHFFFAOYSA-N
MW365.48 g/mol
LogP1.22
Rot. Bonds7

About 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]acetamide

2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]acetamide (PubChem CID 56913488) has the molecular formula C18H31N5O3 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
PubChem CID56913488
Molecular FormulaC18H31N5O3
Molecular Weight365.48 g/mol
Exact Mass365.24
IUPAC Name2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCCc1noc(CN(CC)C(=O)CC2C(=O)NCCN2CC(C)(C)C)n1
InChIInChI=1S/C18H31N5O3/c1-6-14-20-15(26-21-14)11-22(7-2)16(24)10-13-17(25)19-8-9-23(13)12-18(3,4)5/h13H,6-12H2,1-5H3,(H,19,25)
InChIKeyJBXUAFKKUZMUCD-UHFFFAOYSA-N
XLogP1.22
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]acetamide (CID 56913488) is 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]acetamide is CCc1noc(CN(CC)C(=O)CC2C(=O)NCCN2CC(C)(C)C)n1.
What is the InChIKey of 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The InChIKey is JBXUAFKKUZMUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O3/c1-6-14-20-15(26-21-14)11-22(7-2)16(24)10-13-17(25)19-8-9-23(13)12-18(3,4)5/h13H,6-12H2,1-5H3,(H,19,25).
What are the key properties of 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]acetamide has a molecular weight of 365.48 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 56913488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).