N-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)propanamide

C11H23N3O2 — CID 3229463

IUPACN-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)propanamide
SMILESCOCCNC(=O)C(C)N1CCN(C)CC1
InChIInChI=1S/C11H23N3O2/c1-10(11(15)12-4-9-16-3)14-7-5-13(2)6-8-14/h10H,4-9H2,1-3H3,(H,12,15)
InChIKeyBKSRSLZZPSOHDB-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.62
Rot. Bonds5

About N-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)propanamide

N-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)propanamide (PubChem CID 3229463) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)propanamide
PubChem CID3229463
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)propanamide
SMILESCOCCNC(=O)C(C)N1CCN(C)CC1
InChIInChI=1S/C11H23N3O2/c1-10(11(15)12-4-9-16-3)14-7-5-13(2)6-8-14/h10H,4-9H2,1-3H3,(H,12,15)
InChIKeyBKSRSLZZPSOHDB-UHFFFAOYSA-N
XLogP-0.62
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.62
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 N-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of N-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)propanamide (CID 3229463) is N-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)propanamide is COCCNC(=O)C(C)N1CCN(C)CC1.
What is the InChIKey of N-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is BKSRSLZZPSOHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-10(11(15)12-4-9-16-3)14-7-5-13(2)6-8-14/h10H,4-9H2,1-3H3,(H,12,15).
What are the key properties of N-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)propanamide?
N-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 229.32 g/mol, XLogP of -0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 3229463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).