[1-(3-methoxypropanoyl)piperazin-2-yl] 2,2,2-trifluoroacetate

C10H15F3N2O4 — CID 145440273

IUPAC[1-(3-methoxypropanoyl)piperazin-2-yl] 2,2,2-trifluoroacetate
SMILESCOCCC(=O)N1CCNCC1OC(=O)C(F)(F)F
InChIInChI=1S/C10H15F3N2O4/c1-18-5-2-7(16)15-4-3-14-6-8(15)19-9(17)10(11,12)13/h8,14H,2-6H2,1H3
InChIKeyZRNOKCNWLFKVTA-UHFFFAOYSA-N
MW284.23 g/mol
LogP-0.11
Rot. Bonds4

About [1-(3-methoxypropanoyl)piperazin-2-yl] 2,2,2-trifluoroacetate

[1-(3-methoxypropanoyl)piperazin-2-yl] 2,2,2-trifluoroacetate (PubChem CID 145440273) has the molecular formula C10H15F3N2O4 and a molecular weight of 284.23 g/mol. Its IUPAC name is [1-(3-methoxypropanoyl)piperazin-2-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[1-(3-methoxypropanoyl)piperazin-2-yl] 2,2,2-trifluoroacetate
PubChem CID145440273
Molecular FormulaC10H15F3N2O4
Molecular Weight284.23 g/mol
Exact Mass284.10
IUPAC Name[1-(3-methoxypropanoyl)piperazin-2-yl] 2,2,2-trifluoroacetate
SMILESCOCCC(=O)N1CCNCC1OC(=O)C(F)(F)F
InChIInChI=1S/C10H15F3N2O4/c1-18-5-2-7(16)15-4-3-14-6-8(15)19-9(17)10(11,12)13/h8,14H,2-6H2,1H3
InChIKeyZRNOKCNWLFKVTA-UHFFFAOYSA-N
XLogP-0.11
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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

Analyze [1-(3-methoxypropanoyl)piperazin-2-yl] 2,2,2-trifluoroacetate with MolForge

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Related Compounds

Ethyl 3-(2-morpholin-4-ylethylamino)-3-oxopropanoate
CID 58638605
butyl 4-[(2S)-2-amino-3-(2,2,2-trifluoroacetyl)oxypropanoyl]piperazine-1-carboxylate
CID 66651435
(3S)-N,N-dimethylmorpholine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 67429832
Tert-butyl 3-[[(2,2,2-trifluoroacetyl)amino]methyl]morpholine-4-carboxylate
CID 87264747
2,2-Difluoro-3-methoxy-1-piperazin-1-ylpropan-1-one
CID 121299282
[4-(3-Methoxypropyl)-3-oxopiperazin-2-yl] 2,2,2-trifluoroacetate
CID 145440269
[1-(2-Methoxyacetyl)piperazin-2-yl] 2,2,2-trifluoroacetate
CID 145440271
[1-(2,2-Dimethylpropanoyl)piperazin-2-yl] 2,2,2-trifluoroacetate
CID 145440284
[1-(2,2,2-Trifluoroacetyl)piperazin-2-yl] 2,2,2-trifluoroacetate
CID 154651502
2-[3-[Bis[2-(methylamino)ethyl]amino]-3-oxopropoxy]ethylcarbamoyl 2,2,2-trifluoroacetate
CID 170353809
2-[3-[Bis[2-(methylamino)ethyl]amino]-3-oxopropoxy]ethylcarbamic acid;2,2,2-trifluoroacetic acid
CID 170353810
3-Methoxy-1-piperazin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid
CID 172706703

Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxypropanoyl)piperazin-2-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [1-(3-methoxypropanoyl)piperazin-2-yl] 2,2,2-trifluoroacetate (CID 145440273) is [1-(3-methoxypropanoyl)piperazin-2-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [1-(3-methoxypropanoyl)piperazin-2-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [1-(3-methoxypropanoyl)piperazin-2-yl] 2,2,2-trifluoroacetate is COCCC(=O)N1CCNCC1OC(=O)C(F)(F)F.
What is the InChIKey of [1-(3-methoxypropanoyl)piperazin-2-yl] 2,2,2-trifluoroacetate?
The InChIKey is ZRNOKCNWLFKVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O4/c1-18-5-2-7(16)15-4-3-14-6-8(15)19-9(17)10(11,12)13/h8,14H,2-6H2,1H3.
What are the key properties of [1-(3-methoxypropanoyl)piperazin-2-yl] 2,2,2-trifluoroacetate?
[1-(3-methoxypropanoyl)piperazin-2-yl] 2,2,2-trifluoroacetate has a molecular weight of 284.23 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxypropanoyl)piperazin-2-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 145440273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).