1-[3-(2-methoxyethoxy)propyl]piperazin-2-one

C10H20N2O3 — CID 103412181

IUPAC1-[3-(2-methoxyethoxy)propyl]piperazin-2-one
SMILESCOCCOCCCN1CCNCC1=O
InChIInChI=1S/C10H20N2O3/c1-14-7-8-15-6-2-4-12-5-3-11-9-10(12)13/h11H,2-9H2,1H3
InChIKeyYTXJVTUZBGFNMT-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.53
Rot. Bonds7

About 1-[3-(2-methoxyethoxy)propyl]piperazin-2-one

1-[3-(2-methoxyethoxy)propyl]piperazin-2-one (PubChem CID 103412181) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-[3-(2-methoxyethoxy)propyl]piperazin-2-one.

Molecular Properties

Compound Name1-[3-(2-methoxyethoxy)propyl]piperazin-2-one
PubChem CID103412181
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name1-[3-(2-methoxyethoxy)propyl]piperazin-2-one
SMILESCOCCOCCCN1CCNCC1=O
InChIInChI=1S/C10H20N2O3/c1-14-7-8-15-6-2-4-12-5-3-11-9-10(12)13/h11H,2-9H2,1H3
InChIKeyYTXJVTUZBGFNMT-UHFFFAOYSA-N
XLogP-0.53
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.53
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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Related Compounds

1-hexylpiperazin-2-one
CID 62311409
1-[4-(dimethylamino)butyl]piperazin-2-one
CID 64565809
N-(3-methoxypropyl)-2-(2-oxopiperazin-1-yl)acetamide
CID 62310212
N-(2-methoxyethyl)-2-(2-oxopiperazin-1-yl)acetamide;hydrochloride
CID 119669590
1-[3-(2-methoxyethoxy)propyl]-7-methyl-1,4-diazepane
CID 103414508
5-(3-methoxypropyl)-1,2,3,4-tetrahydro-2,5-benzodiazocin-6-one
CID 117016023
1-[3-(2-methoxyethoxy)propyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one
CID 103412197
methyl 2-(2-oxopiperazin-1-yl)acetate;hydrochloride
CID 54759045
ditert-butyl 2-(2-oxopiperazin-1-yl)ethyl phosphate
CID 68640146
1-(3-morpholin-4-ylpropyl)piperazin-2-one
CID 57445037
1-[4-[3-(2-oxopyrrolidin-1-yl)propoxy]butyl]pyrrolidin-2-one
CID 67634239
4-(chloromethyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-one
CID 168507422

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyethoxy)propyl]piperazin-2-one?
The IUPAC name of 1-[3-(2-methoxyethoxy)propyl]piperazin-2-one (CID 103412181) is 1-[3-(2-methoxyethoxy)propyl]piperazin-2-one.
What is the SMILES notation for 1-[3-(2-methoxyethoxy)propyl]piperazin-2-one?
The canonical SMILES for 1-[3-(2-methoxyethoxy)propyl]piperazin-2-one is COCCOCCCN1CCNCC1=O.
What is the InChIKey of 1-[3-(2-methoxyethoxy)propyl]piperazin-2-one?
The InChIKey is YTXJVTUZBGFNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-14-7-8-15-6-2-4-12-5-3-11-9-10(12)13/h11H,2-9H2,1H3.
What are the key properties of 1-[3-(2-methoxyethoxy)propyl]piperazin-2-one?
1-[3-(2-methoxyethoxy)propyl]piperazin-2-one has a molecular weight of 216.28 g/mol, XLogP of -0.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyethoxy)propyl]piperazin-2-one is sourced from PubChem (CID 103412181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).