2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(1,2-oxazol-3-ylmethyl)acetamide

C24H26N4O3 — CID 56884451

IUPAC2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(1,2-oxazol-3-ylmethyl)acetamide
SMILESO=C(CC1C(=O)NCCN1CC(c1ccccc1)c1ccccc1)NCc1ccon1
InChIInChI=1S/C24H26N4O3/c29-23(26-16-20-11-14-31-27-20)15-22-24(30)25-12-13-28(22)17-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-11,14,21-22H,12-13,15-17H2,(H,25,30)(H,26,29)
InChIKeyLKXNUIQMYCDTPO-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.31
Rot. Bonds8

About 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(1,2-oxazol-3-ylmethyl)acetamide

2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(1,2-oxazol-3-ylmethyl)acetamide (PubChem CID 56884451) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(1,2-oxazol-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(1,2-oxazol-3-ylmethyl)acetamide
PubChem CID56884451
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(1,2-oxazol-3-ylmethyl)acetamide
SMILESO=C(CC1C(=O)NCCN1CC(c1ccccc1)c1ccccc1)NCc1ccon1
InChIInChI=1S/C24H26N4O3/c29-23(26-16-20-11-14-31-27-20)15-22-24(30)25-12-13-28(22)17-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-11,14,21-22H,12-13,15-17H2,(H,25,30)(H,26,29)
InChIKeyLKXNUIQMYCDTPO-UHFFFAOYSA-N
XLogP2.31
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(1,2-oxazol-3-ylmethyl)acetamide?
The IUPAC name of 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(1,2-oxazol-3-ylmethyl)acetamide (CID 56884451) is 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(1,2-oxazol-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(1,2-oxazol-3-ylmethyl)acetamide?
The canonical SMILES for 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(1,2-oxazol-3-ylmethyl)acetamide is O=C(CC1C(=O)NCCN1CC(c1ccccc1)c1ccccc1)NCc1ccon1.
What is the InChIKey of 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(1,2-oxazol-3-ylmethyl)acetamide?
The InChIKey is LKXNUIQMYCDTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c29-23(26-16-20-11-14-31-27-20)15-22-24(30)25-12-13-28(22)17-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-11,14,21-22H,12-13,15-17H2,(H,25,30)(H,26,29).
What are the key properties of 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(1,2-oxazol-3-ylmethyl)acetamide?
2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(1,2-oxazol-3-ylmethyl)acetamide has a molecular weight of 418.50 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(1,2-oxazol-3-ylmethyl)acetamide is sourced from PubChem (CID 56884451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).