2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(2-methoxyethyl)acetamide

C19H33N3O3 — CID 46024239

IUPAC2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)C(C1CCCC1)N1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C19H33N3O3/c1-25-14-9-20-18(23)17(15-5-2-3-6-15)21-10-12-22(13-11-21)19(24)16-7-4-8-16/h15-17H,2-14H2,1H3,(H,20,23)
InChIKeyVYYPKIWKHUFWLN-UHFFFAOYSA-N
MW351.49 g/mol
LogP1.25
Rot. Bonds7

About 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(2-methoxyethyl)acetamide

2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(2-methoxyethyl)acetamide (PubChem CID 46024239) has the molecular formula C19H33N3O3 and a molecular weight of 351.49 g/mol. Its IUPAC name is 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(2-methoxyethyl)acetamide
PubChem CID46024239
Molecular FormulaC19H33N3O3
Molecular Weight351.49 g/mol
Exact Mass351.25
IUPAC Name2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)C(C1CCCC1)N1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C19H33N3O3/c1-25-14-9-20-18(23)17(15-5-2-3-6-15)21-10-12-22(13-11-21)19(24)16-7-4-8-16/h15-17H,2-14H2,1H3,(H,20,23)
InChIKeyVYYPKIWKHUFWLN-UHFFFAOYSA-N
XLogP1.25
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(2-methoxyethyl)acetamide (CID 46024239) is 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(2-methoxyethyl)acetamide is COCCNC(=O)C(C1CCCC1)N1CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(2-methoxyethyl)acetamide?
The InChIKey is VYYPKIWKHUFWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O3/c1-25-14-9-20-18(23)17(15-5-2-3-6-15)21-10-12-22(13-11-21)19(24)16-7-4-8-16/h15-17H,2-14H2,1H3,(H,20,23).
What are the key properties of 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(2-methoxyethyl)acetamide?
2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(2-methoxyethyl)acetamide has a molecular weight of 351.49 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 46024239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).