2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(oxan-4-ylmethyl)acetamide

C27H35N3O3 — CID 24791758

IUPAC2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(oxan-4-ylmethyl)acetamide
SMILESCN(CC1CCOCC1)C(=O)CC1C(=O)NCCN1CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H35N3O3/c1-29(19-21-12-16-33-17-13-21)26(31)18-25-27(32)28-14-15-30(25)20-24(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-11,21,24-25H,12-20H2,1H3,(H,28,32)
InChIKeyAENANKAIZZMLSN-UHFFFAOYSA-N
MW449.60 g/mol
LogP2.89
Rot. Bonds8

About 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(oxan-4-ylmethyl)acetamide

2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(oxan-4-ylmethyl)acetamide (PubChem CID 24791758) has the molecular formula C27H35N3O3 and a molecular weight of 449.60 g/mol. Its IUPAC name is 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(oxan-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(oxan-4-ylmethyl)acetamide
PubChem CID24791758
Molecular FormulaC27H35N3O3
Molecular Weight449.60 g/mol
Exact Mass449.27
IUPAC Name2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(oxan-4-ylmethyl)acetamide
SMILESCN(CC1CCOCC1)C(=O)CC1C(=O)NCCN1CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H35N3O3/c1-29(19-21-12-16-33-17-13-21)26(31)18-25-27(32)28-14-15-30(25)20-24(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-11,21,24-25H,12-20H2,1H3,(H,28,32)
InChIKeyAENANKAIZZMLSN-UHFFFAOYSA-N
XLogP2.89
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-(oxan-4-ylmethyl)acetamide?
The IUPAC name of 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(oxan-4-ylmethyl)acetamide (CID 24791758) is 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(oxan-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(oxan-4-ylmethyl)acetamide?
The canonical SMILES for 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(oxan-4-ylmethyl)acetamide is CN(CC1CCOCC1)C(=O)CC1C(=O)NCCN1CC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(oxan-4-ylmethyl)acetamide?
The InChIKey is AENANKAIZZMLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O3/c1-29(19-21-12-16-33-17-13-21)26(31)18-25-27(32)28-14-15-30(25)20-24(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-11,21,24-25H,12-20H2,1H3,(H,28,32).
What are the key properties of 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(oxan-4-ylmethyl)acetamide?
2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(oxan-4-ylmethyl)acetamide has a molecular weight of 449.60 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(oxan-4-ylmethyl)acetamide is sourced from PubChem (CID 24791758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).