[1-(morpholine-4-carbonyl)piperazin-2-yl] 2,2,2-trifluoroacetate

C11H16F3N3O4 — CID 139697835

IUPAC[1-(morpholine-4-carbonyl)piperazin-2-yl] 2,2,2-trifluoroacetate
SMILESO=C(N1CCOCC1)N1CCNCC1OC(=O)C(F)(F)F
InChIInChI=1S/C11H16F3N3O4/c12-11(13,14)9(18)21-8-7-15-1-2-17(8)10(19)16-3-5-20-6-4-16/h8,15H,1-7H2
InChIKeyNJCMTIGHRSIQQT-UHFFFAOYSA-N
MW311.26 g/mol
LogP-0.22
Rot. Bonds1

About [1-(morpholine-4-carbonyl)piperazin-2-yl] 2,2,2-trifluoroacetate

[1-(morpholine-4-carbonyl)piperazin-2-yl] 2,2,2-trifluoroacetate (PubChem CID 139697835) has the molecular formula C11H16F3N3O4 and a molecular weight of 311.26 g/mol. Its IUPAC name is [1-(morpholine-4-carbonyl)piperazin-2-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[1-(morpholine-4-carbonyl)piperazin-2-yl] 2,2,2-trifluoroacetate
PubChem CID139697835
Molecular FormulaC11H16F3N3O4
Molecular Weight311.26 g/mol
Exact Mass311.11
IUPAC Name[1-(morpholine-4-carbonyl)piperazin-2-yl] 2,2,2-trifluoroacetate
SMILESO=C(N1CCOCC1)N1CCNCC1OC(=O)C(F)(F)F
InChIInChI=1S/C11H16F3N3O4/c12-11(13,14)9(18)21-8-7-15-1-2-17(8)10(19)16-3-5-20-6-4-16/h8,15H,1-7H2
InChIKeyNJCMTIGHRSIQQT-UHFFFAOYSA-N
XLogP-0.22
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(morpholine-4-carbonyl)piperazin-2-yl] 2,2,2-trifluoroacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-morpholinocarbonylpiperazine trifluoroacetic acid salt
CID 67764465
N-methyl-N-[2-(methylamino)ethyl]morpholine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 67765031
1-Morpholin-4-yl-2-piperazin-1-ium-1-ylethanone;2,2,2-trifluoroacetate
CID 161997676
Morpholine;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;2,2,2-trifluoro-1-morpholin-4-ylethanone
CID 162173444
Ethyl 2-[[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]amino]acetate
CID 60706516
2-[4-[2-(2,2,2-Trifluoroethoxy)ethylcarbamoyl]piperazin-1-yl]acetic acid
CID 63834600
2-[2-Morpholin-4-ylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263444
2-[4-[2-(2,2-Difluoroethoxy)ethylcarbamoyl]piperazin-1-yl]acetic acid
CID 105918896
1-(2-Morpholin-4-ylethyl)-3-(2,2,2-trifluoroethyl)urea
CID 113223406
2-[4-(morpholine-4-carbonyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 133800101
Ethyl 4-(2-morpholin-4-ylethylcarbamoyl)piperazine-1-carboxylate
CID 108988281
N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]morpholine-4-carboxamide
CID 110872128

Frequently Asked Questions

What is the IUPAC name of [1-(morpholine-4-carbonyl)piperazin-2-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [1-(morpholine-4-carbonyl)piperazin-2-yl] 2,2,2-trifluoroacetate (CID 139697835) is [1-(morpholine-4-carbonyl)piperazin-2-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [1-(morpholine-4-carbonyl)piperazin-2-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [1-(morpholine-4-carbonyl)piperazin-2-yl] 2,2,2-trifluoroacetate is O=C(N1CCOCC1)N1CCNCC1OC(=O)C(F)(F)F.
What is the InChIKey of [1-(morpholine-4-carbonyl)piperazin-2-yl] 2,2,2-trifluoroacetate?
The InChIKey is NJCMTIGHRSIQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O4/c12-11(13,14)9(18)21-8-7-15-1-2-17(8)10(19)16-3-5-20-6-4-16/h8,15H,1-7H2.
What are the key properties of [1-(morpholine-4-carbonyl)piperazin-2-yl] 2,2,2-trifluoroacetate?
[1-(morpholine-4-carbonyl)piperazin-2-yl] 2,2,2-trifluoroacetate has a molecular weight of 311.26 g/mol, XLogP of -0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(morpholine-4-carbonyl)piperazin-2-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 139697835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).