2-(1-methyl-3-oxopiperazin-2-yl)-N-(2-propan-2-yloxyethyl)acetamide

C12H23N3O3 — CID 45200851

IUPAC2-(1-methyl-3-oxopiperazin-2-yl)-N-(2-propan-2-yloxyethyl)acetamide
SMILESCC(C)OCCNC(=O)CC1C(=O)NCCN1C
InChIInChI=1S/C12H23N3O3/c1-9(2)18-7-5-13-11(16)8-10-12(17)14-4-6-15(10)3/h9-10H,4-8H2,1-3H3,(H,13,16)(H,14,17)
InChIKeyXXFFYFHUICCXIR-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.65
Rot. Bonds6

About 2-(1-methyl-3-oxopiperazin-2-yl)-N-(2-propan-2-yloxyethyl)acetamide

2-(1-methyl-3-oxopiperazin-2-yl)-N-(2-propan-2-yloxyethyl)acetamide (PubChem CID 45200851) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-(1-methyl-3-oxopiperazin-2-yl)-N-(2-propan-2-yloxyethyl)acetamide.

Molecular Properties

Compound Name2-(1-methyl-3-oxopiperazin-2-yl)-N-(2-propan-2-yloxyethyl)acetamide
PubChem CID45200851
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name2-(1-methyl-3-oxopiperazin-2-yl)-N-(2-propan-2-yloxyethyl)acetamide
SMILESCC(C)OCCNC(=O)CC1C(=O)NCCN1C
InChIInChI=1S/C12H23N3O3/c1-9(2)18-7-5-13-11(16)8-10-12(17)14-4-6-15(10)3/h9-10H,4-8H2,1-3H3,(H,13,16)(H,14,17)
InChIKeyXXFFYFHUICCXIR-UHFFFAOYSA-N
XLogP-0.65
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.65
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-(1-methyl-3-oxopiperazin-2-yl)-N-(2-propan-2-yloxyethyl)acetamide?
The IUPAC name of 2-(1-methyl-3-oxopiperazin-2-yl)-N-(2-propan-2-yloxyethyl)acetamide (CID 45200851) is 2-(1-methyl-3-oxopiperazin-2-yl)-N-(2-propan-2-yloxyethyl)acetamide.
What is the SMILES notation for 2-(1-methyl-3-oxopiperazin-2-yl)-N-(2-propan-2-yloxyethyl)acetamide?
The canonical SMILES for 2-(1-methyl-3-oxopiperazin-2-yl)-N-(2-propan-2-yloxyethyl)acetamide is CC(C)OCCNC(=O)CC1C(=O)NCCN1C.
What is the InChIKey of 2-(1-methyl-3-oxopiperazin-2-yl)-N-(2-propan-2-yloxyethyl)acetamide?
The InChIKey is XXFFYFHUICCXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-9(2)18-7-5-13-11(16)8-10-12(17)14-4-6-15(10)3/h9-10H,4-8H2,1-3H3,(H,13,16)(H,14,17).
What are the key properties of 2-(1-methyl-3-oxopiperazin-2-yl)-N-(2-propan-2-yloxyethyl)acetamide?
2-(1-methyl-3-oxopiperazin-2-yl)-N-(2-propan-2-yloxyethyl)acetamide has a molecular weight of 257.33 g/mol, XLogP of -0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3-oxopiperazin-2-yl)-N-(2-propan-2-yloxyethyl)acetamide is sourced from PubChem (CID 45200851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).