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

C25H28N4O2S — CID 45235765

IUPAC2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESCN(Cc1nccs1)C(=O)CC1C(=O)NCCN1CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28N4O2S/c1-28(18-23-26-13-15-32-23)24(30)16-22-25(31)27-12-14-29(22)17-21(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,13,15,21-22H,12,14,16-18H2,1H3,(H,27,31)
InChIKeySEGOFUKEWZMJOL-UHFFFAOYSA-N
MW448.59 g/mol
LogP3.12
Rot. Bonds8

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

2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)acetamide (PubChem CID 45235765) has the molecular formula C25H28N4O2S and a molecular weight of 448.59 g/mol. Its IUPAC name is 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)acetamide
PubChem CID45235765
Molecular FormulaC25H28N4O2S
Molecular Weight448.59 g/mol
Exact Mass448.19
IUPAC Name2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESCN(Cc1nccs1)C(=O)CC1C(=O)NCCN1CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28N4O2S/c1-28(18-23-26-13-15-32-23)24(30)16-22-25(31)27-12-14-29(22)17-21(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,13,15,21-22H,12,14,16-18H2,1H3,(H,27,31)
InChIKeySEGOFUKEWZMJOL-UHFFFAOYSA-N
XLogP3.12
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 53.12
H-Bond Donors ≤ 51
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-methyl-N-(1,3-thiazol-2-ylmethyl)acetamide?
The IUPAC name of 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)acetamide (CID 45235765) is 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)acetamide?
The canonical SMILES for 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)acetamide is CN(Cc1nccs1)C(=O)CC1C(=O)NCCN1CC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)acetamide?
The InChIKey is SEGOFUKEWZMJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2S/c1-28(18-23-26-13-15-32-23)24(30)16-22-25(31)27-12-14-29(22)17-21(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,13,15,21-22H,12,14,16-18H2,1H3,(H,27,31).
What are the key properties of 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)acetamide?
2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)acetamide has a molecular weight of 448.59 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 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-methyl-N-(1,3-thiazol-2-ylmethyl)acetamide is sourced from PubChem (CID 45235765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).