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

C18H34N4O3 — CID 24791321

IUPAC2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCC(C)CCN1CCNC(=O)C1CC(=O)NCCCN1CCOCC1
InChIInChI=1S/C18H34N4O3/c1-15(2)4-8-22-9-6-20-18(24)16(22)14-17(23)19-5-3-7-21-10-12-25-13-11-21/h15-16H,3-14H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyKGPXYZLKDMYGHJ-UHFFFAOYSA-N
MW354.50 g/mol
LogP0.06
Rot. Bonds9

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

2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 24791321) has the molecular formula C18H34N4O3 and a molecular weight of 354.50 g/mol. Its IUPAC name is 2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID24791321
Molecular FormulaC18H34N4O3
Molecular Weight354.50 g/mol
Exact Mass354.26
IUPAC Name2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCC(C)CCN1CCNC(=O)C1CC(=O)NCCCN1CCOCC1
InChIInChI=1S/C18H34N4O3/c1-15(2)4-8-22-9-6-20-18(24)16(22)14-17(23)19-5-3-7-21-10-12-25-13-11-21/h15-16H,3-14H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyKGPXYZLKDMYGHJ-UHFFFAOYSA-N
XLogP0.06
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 50.06
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-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide (CID 24791321) is 2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide is CC(C)CCN1CCNC(=O)C1CC(=O)NCCCN1CCOCC1.
What is the InChIKey of 2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is KGPXYZLKDMYGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O3/c1-15(2)4-8-22-9-6-20-18(24)16(22)14-17(23)19-5-3-7-21-10-12-25-13-11-21/h15-16H,3-14H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of 2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 354.50 g/mol, XLogP of 0.06, 9 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-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 24791321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).