1-(3-methoxypropyl)-3-methylpiperazin-2-one

C9H18N2O2 — CID 63608171

IUPAC1-(3-methoxypropyl)-3-methylpiperazin-2-one
SMILESCOCCCN1CCNC(C)C1=O
InChIInChI=1S/C9H18N2O2/c1-8-9(12)11(6-4-10-8)5-3-7-13-2/h8,10H,3-7H2,1-2H3
InChIKeyASRBDKZJWOWHJB-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.16
Rot. Bonds4

About 1-(3-methoxypropyl)-3-methylpiperazin-2-one

1-(3-methoxypropyl)-3-methylpiperazin-2-one (PubChem CID 63608171) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name1-(3-methoxypropyl)-3-methylpiperazin-2-one
PubChem CID63608171
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-(3-methoxypropyl)-3-methylpiperazin-2-one
SMILESCOCCCN1CCNC(C)C1=O
InChIInChI=1S/C9H18N2O2/c1-8-9(12)11(6-4-10-8)5-3-7-13-2/h8,10H,3-7H2,1-2H3
InChIKeyASRBDKZJWOWHJB-UHFFFAOYSA-N
XLogP-0.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.16
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-methylpiperazin-2-one?
The IUPAC name of 1-(3-methoxypropyl)-3-methylpiperazin-2-one (CID 63608171) is 1-(3-methoxypropyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 1-(3-methoxypropyl)-3-methylpiperazin-2-one?
The canonical SMILES for 1-(3-methoxypropyl)-3-methylpiperazin-2-one is COCCCN1CCNC(C)C1=O.
What is the InChIKey of 1-(3-methoxypropyl)-3-methylpiperazin-2-one?
The InChIKey is ASRBDKZJWOWHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-8-9(12)11(6-4-10-8)5-3-7-13-2/h8,10H,3-7H2,1-2H3.
What are the key properties of 1-(3-methoxypropyl)-3-methylpiperazin-2-one?
1-(3-methoxypropyl)-3-methylpiperazin-2-one has a molecular weight of 186.25 g/mol, XLogP of -0.16, 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-methylpiperazin-2-one is sourced from PubChem (CID 63608171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).