2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(5-morpholin-4-ylpentyl)acetamide

C20H38N4O3 — CID 45201020

IUPAC2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(5-morpholin-4-ylpentyl)acetamide
SMILESCC(C)CCN1CCNC(=O)C1CC(=O)NCCCCCN1CCOCC1
InChIInChI=1S/C20H38N4O3/c1-17(2)6-10-24-11-8-22-20(26)18(24)16-19(25)21-7-4-3-5-9-23-12-14-27-15-13-23/h17-18H,3-16H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyLNGMQUDRMMDARV-UHFFFAOYSA-N
MW382.55 g/mol
LogP0.84
Rot. Bonds11

About 2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(5-morpholin-4-ylpentyl)acetamide

2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(5-morpholin-4-ylpentyl)acetamide (PubChem CID 45201020) has the molecular formula C20H38N4O3 and a molecular weight of 382.55 g/mol. Its IUPAC name is 2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(5-morpholin-4-ylpentyl)acetamide.

Molecular Properties

Compound Name2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(5-morpholin-4-ylpentyl)acetamide
PubChem CID45201020
Molecular FormulaC20H38N4O3
Molecular Weight382.55 g/mol
Exact Mass382.29
IUPAC Name2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(5-morpholin-4-ylpentyl)acetamide
SMILESCC(C)CCN1CCNC(=O)C1CC(=O)NCCCCCN1CCOCC1
InChIInChI=1S/C20H38N4O3/c1-17(2)6-10-24-11-8-22-20(26)18(24)16-19(25)21-7-4-3-5-9-23-12-14-27-15-13-23/h17-18H,3-16H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyLNGMQUDRMMDARV-UHFFFAOYSA-N
XLogP0.84
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 50.84
H-Bond Donors ≤ 52
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-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(5-morpholin-4-ylpentyl)acetamide?
The IUPAC name of 2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(5-morpholin-4-ylpentyl)acetamide (CID 45201020) is 2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(5-morpholin-4-ylpentyl)acetamide.
What is the SMILES notation for 2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(5-morpholin-4-ylpentyl)acetamide?
The canonical SMILES for 2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(5-morpholin-4-ylpentyl)acetamide is CC(C)CCN1CCNC(=O)C1CC(=O)NCCCCCN1CCOCC1.
What is the InChIKey of 2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(5-morpholin-4-ylpentyl)acetamide?
The InChIKey is LNGMQUDRMMDARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O3/c1-17(2)6-10-24-11-8-22-20(26)18(24)16-19(25)21-7-4-3-5-9-23-12-14-27-15-13-23/h17-18H,3-16H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of 2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(5-morpholin-4-ylpentyl)acetamide?
2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(5-morpholin-4-ylpentyl)acetamide has a molecular weight of 382.55 g/mol, XLogP of 0.84, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(5-morpholin-4-ylpentyl)acetamide is sourced from PubChem (CID 45201020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).