2-(1-methyl-3-oxopiperazin-2-yl)-N-(5-morpholin-4-ylpentyl)acetamide

C16H30N4O3 — CID 45174698

IUPAC2-(1-methyl-3-oxopiperazin-2-yl)-N-(5-morpholin-4-ylpentyl)acetamide
SMILESCN1CCNC(=O)C1CC(=O)NCCCCCN1CCOCC1
InChIInChI=1S/C16H30N4O3/c1-19-8-6-18-16(22)14(19)13-15(21)17-5-3-2-4-7-20-9-11-23-12-10-20/h14H,2-13H2,1H3,(H,17,21)(H,18,22)
InChIKeyQORUSEMZIGAABV-UHFFFAOYSA-N
MW326.44 g/mol
LogP-0.57
Rot. Bonds8

About 2-(1-methyl-3-oxopiperazin-2-yl)-N-(5-morpholin-4-ylpentyl)acetamide

2-(1-methyl-3-oxopiperazin-2-yl)-N-(5-morpholin-4-ylpentyl)acetamide (PubChem CID 45174698) has the molecular formula C16H30N4O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-(1-methyl-3-oxopiperazin-2-yl)-N-(5-morpholin-4-ylpentyl)acetamide.

Molecular Properties

Compound Name2-(1-methyl-3-oxopiperazin-2-yl)-N-(5-morpholin-4-ylpentyl)acetamide
PubChem CID45174698
Molecular FormulaC16H30N4O3
Molecular Weight326.44 g/mol
Exact Mass326.23
IUPAC Name2-(1-methyl-3-oxopiperazin-2-yl)-N-(5-morpholin-4-ylpentyl)acetamide
SMILESCN1CCNC(=O)C1CC(=O)NCCCCCN1CCOCC1
InChIInChI=1S/C16H30N4O3/c1-19-8-6-18-16(22)14(19)13-15(21)17-5-3-2-4-7-20-9-11-23-12-10-20/h14H,2-13H2,1H3,(H,17,21)(H,18,22)
InChIKeyQORUSEMZIGAABV-UHFFFAOYSA-N
XLogP-0.57
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 5-0.57
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-methyl-3-oxopiperazin-2-yl)-N-(5-morpholin-4-ylpentyl)acetamide?
The IUPAC name of 2-(1-methyl-3-oxopiperazin-2-yl)-N-(5-morpholin-4-ylpentyl)acetamide (CID 45174698) is 2-(1-methyl-3-oxopiperazin-2-yl)-N-(5-morpholin-4-ylpentyl)acetamide.
What is the SMILES notation for 2-(1-methyl-3-oxopiperazin-2-yl)-N-(5-morpholin-4-ylpentyl)acetamide?
The canonical SMILES for 2-(1-methyl-3-oxopiperazin-2-yl)-N-(5-morpholin-4-ylpentyl)acetamide is CN1CCNC(=O)C1CC(=O)NCCCCCN1CCOCC1.
What is the InChIKey of 2-(1-methyl-3-oxopiperazin-2-yl)-N-(5-morpholin-4-ylpentyl)acetamide?
The InChIKey is QORUSEMZIGAABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O3/c1-19-8-6-18-16(22)14(19)13-15(21)17-5-3-2-4-7-20-9-11-23-12-10-20/h14H,2-13H2,1H3,(H,17,21)(H,18,22).
What are the key properties of 2-(1-methyl-3-oxopiperazin-2-yl)-N-(5-morpholin-4-ylpentyl)acetamide?
2-(1-methyl-3-oxopiperazin-2-yl)-N-(5-morpholin-4-ylpentyl)acetamide has a molecular weight of 326.44 g/mol, XLogP of -0.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3-oxopiperazin-2-yl)-N-(5-morpholin-4-ylpentyl)acetamide is sourced from PubChem (CID 45174698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).