3,3,4,5,5-pentamethyl-1-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one

C20H38N4O2 — CID 19433343

IUPAC3,3,4,5,5-pentamethyl-1-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one
SMILESCN1C(C)(C)CN(CCN2CC(C)(C)N(C)C(C)(C)C2=O)C(=O)C1(C)C
InChIInChI=1S/C20H38N4O2/c1-17(2)13-23(15(25)19(5,6)21(17)9)11-12-24-14-18(3,4)22(10)20(7,8)16(24)26/h11-14H2,1-10H3
InChIKeyCMXAIAGONKHTHX-UHFFFAOYSA-N
MW366.55 g/mol
LogP1.65
Rot. Bonds3

About 3,3,4,5,5-pentamethyl-1-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one

3,3,4,5,5-pentamethyl-1-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one (PubChem CID 19433343) has the molecular formula C20H38N4O2 and a molecular weight of 366.55 g/mol. Its IUPAC name is 3,3,4,5,5-pentamethyl-1-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one.

Molecular Properties

Compound Name3,3,4,5,5-pentamethyl-1-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one
PubChem CID19433343
Molecular FormulaC20H38N4O2
Molecular Weight366.55 g/mol
Exact Mass366.30
IUPAC Name3,3,4,5,5-pentamethyl-1-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one
SMILESCN1C(C)(C)CN(CCN2CC(C)(C)N(C)C(C)(C)C2=O)C(=O)C1(C)C
InChIInChI=1S/C20H38N4O2/c1-17(2)13-23(15(25)19(5,6)21(17)9)11-12-24-14-18(3,4)22(10)20(7,8)16(24)26/h11-14H2,1-10H3
InChIKeyCMXAIAGONKHTHX-UHFFFAOYSA-N
XLogP1.65
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,5,5-pentamethyl-1-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one?
The IUPAC name of 3,3,4,5,5-pentamethyl-1-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one (CID 19433343) is 3,3,4,5,5-pentamethyl-1-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one.
What is the SMILES notation for 3,3,4,5,5-pentamethyl-1-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one?
The canonical SMILES for 3,3,4,5,5-pentamethyl-1-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one is CN1C(C)(C)CN(CCN2CC(C)(C)N(C)C(C)(C)C2=O)C(=O)C1(C)C.
What is the InChIKey of 3,3,4,5,5-pentamethyl-1-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one?
The InChIKey is CMXAIAGONKHTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O2/c1-17(2)13-23(15(25)19(5,6)21(17)9)11-12-24-14-18(3,4)22(10)20(7,8)16(24)26/h11-14H2,1-10H3.
What are the key properties of 3,3,4,5,5-pentamethyl-1-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one?
3,3,4,5,5-pentamethyl-1-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one has a molecular weight of 366.55 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,5,5-pentamethyl-1-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one is sourced from PubChem (CID 19433343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).