2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide

C14H25N3O3 — CID 110283466

IUPAC2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CC1NCCN(CC2CCC2)C1=O
InChIInChI=1S/C14H25N3O3/c1-20-8-6-16-13(18)9-12-14(19)17(7-5-15-12)10-11-3-2-4-11/h11-12,15H,2-10H2,1H3,(H,16,18)
InChIKeyOVSRKEFZVIQXIO-UHFFFAOYSA-N
MW283.37 g/mol
LogP-0.26
Rot. Bonds7

About 2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide

2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 110283466) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide
PubChem CID110283466
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CC1NCCN(CC2CCC2)C1=O
InChIInChI=1S/C14H25N3O3/c1-20-8-6-16-13(18)9-12-14(19)17(7-5-15-12)10-11-3-2-4-11/h11-12,15H,2-10H2,1H3,(H,16,18)
InChIKeyOVSRKEFZVIQXIO-UHFFFAOYSA-N
XLogP-0.26
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
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-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide (CID 110283466) is 2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CC1NCCN(CC2CCC2)C1=O.
What is the InChIKey of 2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is OVSRKEFZVIQXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-20-8-6-16-13(18)9-12-14(19)17(7-5-15-12)10-11-3-2-4-11/h11-12,15H,2-10H2,1H3,(H,16,18).
What are the key properties of 2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide?
2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 283.37 g/mol, XLogP of -0.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 110283466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).