3-methyl-4-[2-[2-[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethoxy]acetyl]-1-(2-methylpropyl)piperazin-2-one

C22H38N4O5 — CID 166226447

IUPAC3-methyl-4-[2-[2-[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethoxy]acetyl]-1-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CN1CCN(C(=O)COCC(=O)N2CCN(CC(C)C)C(=O)C2C)C(C)C1=O
InChIInChI=1S/C22H38N4O5/c1-15(2)11-23-7-9-25(17(5)21(23)29)19(27)13-31-14-20(28)26-10-8-24(12-16(3)4)22(30)18(26)6/h15-18H,7-14H2,1-6H3
InChIKeyOFWWOUAYBIOBQW-UHFFFAOYSA-N
MW438.57 g/mol
LogP0.43
Rot. Bonds8

About 3-methyl-4-[2-[2-[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethoxy]acetyl]-1-(2-methylpropyl)piperazin-2-one

3-methyl-4-[2-[2-[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethoxy]acetyl]-1-(2-methylpropyl)piperazin-2-one (PubChem CID 166226447) has the molecular formula C22H38N4O5 and a molecular weight of 438.57 g/mol. Its IUPAC name is 3-methyl-4-[2-[2-[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethoxy]acetyl]-1-(2-methylpropyl)piperazin-2-one.

Molecular Properties

Compound Name3-methyl-4-[2-[2-[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethoxy]acetyl]-1-(2-methylpropyl)piperazin-2-one
PubChem CID166226447
Molecular FormulaC22H38N4O5
Molecular Weight438.57 g/mol
Exact Mass438.28
IUPAC Name3-methyl-4-[2-[2-[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethoxy]acetyl]-1-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CN1CCN(C(=O)COCC(=O)N2CCN(CC(C)C)C(=O)C2C)C(C)C1=O
InChIInChI=1S/C22H38N4O5/c1-15(2)11-23-7-9-25(17(5)21(23)29)19(27)13-31-14-20(28)26-10-8-24(12-16(3)4)22(30)18(26)6/h15-18H,7-14H2,1-6H3
InChIKeyOFWWOUAYBIOBQW-UHFFFAOYSA-N
XLogP0.43
TPSA90.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[2-[2-[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethoxy]acetyl]-1-(2-methylpropyl)piperazin-2-one?
The IUPAC name of 3-methyl-4-[2-[2-[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethoxy]acetyl]-1-(2-methylpropyl)piperazin-2-one (CID 166226447) is 3-methyl-4-[2-[2-[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethoxy]acetyl]-1-(2-methylpropyl)piperazin-2-one.
What is the SMILES notation for 3-methyl-4-[2-[2-[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethoxy]acetyl]-1-(2-methylpropyl)piperazin-2-one?
The canonical SMILES for 3-methyl-4-[2-[2-[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethoxy]acetyl]-1-(2-methylpropyl)piperazin-2-one is CC(C)CN1CCN(C(=O)COCC(=O)N2CCN(CC(C)C)C(=O)C2C)C(C)C1=O.
What is the InChIKey of 3-methyl-4-[2-[2-[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethoxy]acetyl]-1-(2-methylpropyl)piperazin-2-one?
The InChIKey is OFWWOUAYBIOBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N4O5/c1-15(2)11-23-7-9-25(17(5)21(23)29)19(27)13-31-14-20(28)26-10-8-24(12-16(3)4)22(30)18(26)6/h15-18H,7-14H2,1-6H3.
What are the key properties of 3-methyl-4-[2-[2-[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethoxy]acetyl]-1-(2-methylpropyl)piperazin-2-one?
3-methyl-4-[2-[2-[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethoxy]acetyl]-1-(2-methylpropyl)piperazin-2-one has a molecular weight of 438.57 g/mol, XLogP of 0.43, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[2-[2-[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethoxy]acetyl]-1-(2-methylpropyl)piperazin-2-one is sourced from PubChem (CID 166226447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).