2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-methyl-N-(4-morpholin-4-ylbutyl)acetamide

C20H38N4O3 — CID 45177104

IUPAC2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-methyl-N-(4-morpholin-4-ylbutyl)acetamide
SMILESCN(CCCCN1CCOCC1)C(=O)CC1C(=O)NCCN1CC(C)(C)C
InChIInChI=1S/C20H38N4O3/c1-20(2,3)16-24-10-7-21-19(26)17(24)15-18(25)22(4)8-5-6-9-23-11-13-27-14-12-23/h17H,5-16H2,1-4H3,(H,21,26)
InChIKeyJVUXJAWYMBZPDW-UHFFFAOYSA-N
MW382.55 g/mol
LogP0.79
Rot. Bonds8

About 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-methyl-N-(4-morpholin-4-ylbutyl)acetamide

2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-methyl-N-(4-morpholin-4-ylbutyl)acetamide (PubChem CID 45177104) has the molecular formula C20H38N4O3 and a molecular weight of 382.55 g/mol. Its IUPAC name is 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-methyl-N-(4-morpholin-4-ylbutyl)acetamide.

Molecular Properties

Compound Name2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-methyl-N-(4-morpholin-4-ylbutyl)acetamide
PubChem CID45177104
Molecular FormulaC20H38N4O3
Molecular Weight382.55 g/mol
Exact Mass382.29
IUPAC Name2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-methyl-N-(4-morpholin-4-ylbutyl)acetamide
SMILESCN(CCCCN1CCOCC1)C(=O)CC1C(=O)NCCN1CC(C)(C)C
InChIInChI=1S/C20H38N4O3/c1-20(2,3)16-24-10-7-21-19(26)17(24)15-18(25)22(4)8-5-6-9-23-11-13-27-14-12-23/h17H,5-16H2,1-4H3,(H,21,26)
InChIKeyJVUXJAWYMBZPDW-UHFFFAOYSA-N
XLogP0.79
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-methyl-N-(4-morpholin-4-ylbutyl)acetamide?
The IUPAC name of 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-methyl-N-(4-morpholin-4-ylbutyl)acetamide (CID 45177104) is 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-methyl-N-(4-morpholin-4-ylbutyl)acetamide.
What is the SMILES notation for 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-methyl-N-(4-morpholin-4-ylbutyl)acetamide?
The canonical SMILES for 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-methyl-N-(4-morpholin-4-ylbutyl)acetamide is CN(CCCCN1CCOCC1)C(=O)CC1C(=O)NCCN1CC(C)(C)C.
What is the InChIKey of 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-methyl-N-(4-morpholin-4-ylbutyl)acetamide?
The InChIKey is JVUXJAWYMBZPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O3/c1-20(2,3)16-24-10-7-21-19(26)17(24)15-18(25)22(4)8-5-6-9-23-11-13-27-14-12-23/h17H,5-16H2,1-4H3,(H,21,26).
What are the key properties of 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-methyl-N-(4-morpholin-4-ylbutyl)acetamide?
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-methyl-N-(4-morpholin-4-ylbutyl)acetamide has a molecular weight of 382.55 g/mol, XLogP of 0.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-methyl-N-(4-morpholin-4-ylbutyl)acetamide is sourced from PubChem (CID 45177104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).