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

C26H33N3O3 — CID 24794263

IUPAC2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(oxan-4-ylmethyl)acetamide
SMILESO=C(CC1C(=O)NCCN1CC(c1ccccc1)c1ccccc1)NCC1CCOCC1
InChIInChI=1S/C26H33N3O3/c30-25(28-18-20-11-15-32-16-12-20)17-24-26(31)27-13-14-29(24)19-23(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-10,20,23-24H,11-19H2,(H,27,31)(H,28,30)
InChIKeySAYKQCUGAHFYRQ-UHFFFAOYSA-N
MW435.57 g/mol
LogP2.55
Rot. Bonds8

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

2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(oxan-4-ylmethyl)acetamide (PubChem CID 24794263) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(oxan-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(oxan-4-ylmethyl)acetamide
PubChem CID24794263
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC Name2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(oxan-4-ylmethyl)acetamide
SMILESO=C(CC1C(=O)NCCN1CC(c1ccccc1)c1ccccc1)NCC1CCOCC1
InChIInChI=1S/C26H33N3O3/c30-25(28-18-20-11-15-32-16-12-20)17-24-26(31)27-13-14-29(24)19-23(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-10,20,23-24H,11-19H2,(H,27,31)(H,28,30)
InChIKeySAYKQCUGAHFYRQ-UHFFFAOYSA-N
XLogP2.55
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 52.55
H-Bond Donors ≤ 52
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-(oxan-4-ylmethyl)acetamide?
The IUPAC name of 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(oxan-4-ylmethyl)acetamide (CID 24794263) is 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(oxan-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(oxan-4-ylmethyl)acetamide?
The canonical SMILES for 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(oxan-4-ylmethyl)acetamide is O=C(CC1C(=O)NCCN1CC(c1ccccc1)c1ccccc1)NCC1CCOCC1.
What is the InChIKey of 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(oxan-4-ylmethyl)acetamide?
The InChIKey is SAYKQCUGAHFYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c30-25(28-18-20-11-15-32-16-12-20)17-24-26(31)27-13-14-29(24)19-23(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-10,20,23-24H,11-19H2,(H,27,31)(H,28,30).
What are the key properties of 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(oxan-4-ylmethyl)acetamide?
2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(oxan-4-ylmethyl)acetamide has a molecular weight of 435.57 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 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-(oxan-4-ylmethyl)acetamide is sourced from PubChem (CID 24794263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).