2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide

C19H36N4O2 — CID 56882602

IUPAC2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide
SMILESCC(C)(C)CN1CCNC(=O)C1CC(=O)NC(C)(C)CN1CCCC1
InChIInChI=1S/C19H36N4O2/c1-18(2,3)13-23-11-8-20-17(25)15(23)12-16(24)21-19(4,5)14-22-9-6-7-10-22/h15H,6-14H2,1-5H3,(H,20,25)(H,21,24)
InChIKeyCIFPTYGBZCMPIY-UHFFFAOYSA-N
MW352.52 g/mol
LogP1.21
Rot. Bonds6

About 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide

2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide (PubChem CID 56882602) has the molecular formula C19H36N4O2 and a molecular weight of 352.52 g/mol. Its IUPAC name is 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide
PubChem CID56882602
Molecular FormulaC19H36N4O2
Molecular Weight352.52 g/mol
Exact Mass352.28
IUPAC Name2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide
SMILESCC(C)(C)CN1CCNC(=O)C1CC(=O)NC(C)(C)CN1CCCC1
InChIInChI=1S/C19H36N4O2/c1-18(2,3)13-23-11-8-20-17(25)15(23)12-16(24)21-19(4,5)14-22-9-6-7-10-22/h15H,6-14H2,1-5H3,(H,20,25)(H,21,24)
InChIKeyCIFPTYGBZCMPIY-UHFFFAOYSA-N
XLogP1.21
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 51.21
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-dimethylpropyl)-3-oxopiperazin-2-yl]-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide?
The IUPAC name of 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide (CID 56882602) is 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide.
What is the SMILES notation for 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide?
The canonical SMILES for 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide is CC(C)(C)CN1CCNC(=O)C1CC(=O)NC(C)(C)CN1CCCC1.
What is the InChIKey of 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide?
The InChIKey is CIFPTYGBZCMPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O2/c1-18(2,3)13-23-11-8-20-17(25)15(23)12-16(24)21-19(4,5)14-22-9-6-7-10-22/h15H,6-14H2,1-5H3,(H,20,25)(H,21,24).
What are the key properties of 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide?
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide has a molecular weight of 352.52 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide is sourced from PubChem (CID 56882602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).