[4-(3-methoxypropyl)-3-oxopiperazin-2-yl] 2,2,2-trifluoroacetate

C10H15F3N2O4 — CID 145440269

IUPAC[4-(3-methoxypropyl)-3-oxopiperazin-2-yl] 2,2,2-trifluoroacetate
SMILESCOCCCN1CCNC(OC(=O)C(F)(F)F)C1=O
InChIInChI=1S/C10H15F3N2O4/c1-18-6-2-4-15-5-3-14-7(8(15)16)19-9(17)10(11,12)13/h7,14H,2-6H2,1H3
InChIKeyCJNZEDOIHMQRBK-UHFFFAOYSA-N
MW284.23 g/mol
LogP-0.11
Rot. Bonds5

About [4-(3-methoxypropyl)-3-oxopiperazin-2-yl] 2,2,2-trifluoroacetate

[4-(3-methoxypropyl)-3-oxopiperazin-2-yl] 2,2,2-trifluoroacetate (PubChem CID 145440269) has the molecular formula C10H15F3N2O4 and a molecular weight of 284.23 g/mol. Its IUPAC name is [4-(3-methoxypropyl)-3-oxopiperazin-2-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[4-(3-methoxypropyl)-3-oxopiperazin-2-yl] 2,2,2-trifluoroacetate
PubChem CID145440269
Molecular FormulaC10H15F3N2O4
Molecular Weight284.23 g/mol
Exact Mass284.10
IUPAC Name[4-(3-methoxypropyl)-3-oxopiperazin-2-yl] 2,2,2-trifluoroacetate
SMILESCOCCCN1CCNC(OC(=O)C(F)(F)F)C1=O
InChIInChI=1S/C10H15F3N2O4/c1-18-6-2-4-15-5-3-14-7(8(15)16)19-9(17)10(11,12)13/h7,14H,2-6H2,1H3
InChIKeyCJNZEDOIHMQRBK-UHFFFAOYSA-N
XLogP-0.11
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 [4-(3-methoxypropyl)-3-oxopiperazin-2-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [4-(3-methoxypropyl)-3-oxopiperazin-2-yl] 2,2,2-trifluoroacetate (CID 145440269) is [4-(3-methoxypropyl)-3-oxopiperazin-2-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [4-(3-methoxypropyl)-3-oxopiperazin-2-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [4-(3-methoxypropyl)-3-oxopiperazin-2-yl] 2,2,2-trifluoroacetate is COCCCN1CCNC(OC(=O)C(F)(F)F)C1=O.
What is the InChIKey of [4-(3-methoxypropyl)-3-oxopiperazin-2-yl] 2,2,2-trifluoroacetate?
The InChIKey is CJNZEDOIHMQRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O4/c1-18-6-2-4-15-5-3-14-7(8(15)16)19-9(17)10(11,12)13/h7,14H,2-6H2,1H3.
What are the key properties of [4-(3-methoxypropyl)-3-oxopiperazin-2-yl] 2,2,2-trifluoroacetate?
[4-(3-methoxypropyl)-3-oxopiperazin-2-yl] 2,2,2-trifluoroacetate has a molecular weight of 284.23 g/mol, XLogP of -0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxypropyl)-3-oxopiperazin-2-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 145440269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).