1-(3-methoxypropyl)-3,3-dimethylpiperazin-2-one

C10H20N2O2 — CID 63602475

IUPAC1-(3-methoxypropyl)-3,3-dimethylpiperazin-2-one
SMILESCOCCCN1CCNC(C)(C)C1=O
InChIInChI=1S/C10H20N2O2/c1-10(2)9(13)12(7-5-11-10)6-4-8-14-3/h11H,4-8H2,1-3H3
InChIKeyYQYVTHJODXFKAH-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.23
Rot. Bonds4

About 1-(3-methoxypropyl)-3,3-dimethylpiperazin-2-one

1-(3-methoxypropyl)-3,3-dimethylpiperazin-2-one (PubChem CID 63602475) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name1-(3-methoxypropyl)-3,3-dimethylpiperazin-2-one
PubChem CID63602475
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-(3-methoxypropyl)-3,3-dimethylpiperazin-2-one
SMILESCOCCCN1CCNC(C)(C)C1=O
InChIInChI=1S/C10H20N2O2/c1-10(2)9(13)12(7-5-11-10)6-4-8-14-3/h11H,4-8H2,1-3H3
InChIKeyYQYVTHJODXFKAH-UHFFFAOYSA-N
XLogP0.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-(3-methoxypropyl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of 1-(3-methoxypropyl)-3,3-dimethylpiperazin-2-one (CID 63602475) is 1-(3-methoxypropyl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 1-(3-methoxypropyl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 1-(3-methoxypropyl)-3,3-dimethylpiperazin-2-one is COCCCN1CCNC(C)(C)C1=O.
What is the InChIKey of 1-(3-methoxypropyl)-3,3-dimethylpiperazin-2-one?
The InChIKey is YQYVTHJODXFKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2)9(13)12(7-5-11-10)6-4-8-14-3/h11H,4-8H2,1-3H3.
What are the key properties of 1-(3-methoxypropyl)-3,3-dimethylpiperazin-2-one?
1-(3-methoxypropyl)-3,3-dimethylpiperazin-2-one has a molecular weight of 200.28 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63602475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).