4-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-2-carboxamide;dihydrochloride

C14H27Cl2F3N4O2 — CID 120810580

IUPAC4-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-2-carboxamide;dihydrochloride
SMILESCCN1CCOC(C(=O)NCC(N2CCNCC2)C(F)(F)F)C1.Cl.Cl
InChIInChI=1S/C14H25F3N4O2.2ClH/c1-2-20-7-8-23-11(10-20)13(22)19-9-12(14(15,16)17)21-5-3-18-4-6-21;;/h11-12,18H,2-10H2,1H3,(H,19,22);2*1H
InChIKeyCZSGSXFEPJYUGY-UHFFFAOYSA-N
MW411.30 g/mol
LogP0.50
Rot. Bonds5

About 4-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-2-carboxamide;dihydrochloride

4-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-2-carboxamide;dihydrochloride (PubChem CID 120810580) has the molecular formula C14H27Cl2F3N4O2 and a molecular weight of 411.30 g/mol. Its IUPAC name is 4-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-2-carboxamide;dihydrochloride
PubChem CID120810580
Molecular FormulaC14H27Cl2F3N4O2
Molecular Weight411.30 g/mol
Exact Mass410.15
IUPAC Name4-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-2-carboxamide;dihydrochloride
SMILESCCN1CCOC(C(=O)NCC(N2CCNCC2)C(F)(F)F)C1.Cl.Cl
InChIInChI=1S/C14H25F3N4O2.2ClH/c1-2-20-7-8-23-11(10-20)13(22)19-9-12(14(15,16)17)21-5-3-18-4-6-21;;/h11-12,18H,2-10H2,1H3,(H,19,22);2*1H
InChIKeyCZSGSXFEPJYUGY-UHFFFAOYSA-N
XLogP0.50
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.30
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-2-carboxamide;dihydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-2-carboxamide;dihydrochloride?
The IUPAC name of 4-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-2-carboxamide;dihydrochloride (CID 120810580) is 4-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-2-carboxamide;dihydrochloride.
What is the SMILES notation for 4-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-2-carboxamide;dihydrochloride?
The canonical SMILES for 4-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-2-carboxamide;dihydrochloride is CCN1CCOC(C(=O)NCC(N2CCNCC2)C(F)(F)F)C1.Cl.Cl.
What is the InChIKey of 4-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-2-carboxamide;dihydrochloride?
The InChIKey is CZSGSXFEPJYUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N4O2.2ClH/c1-2-20-7-8-23-11(10-20)13(22)19-9-12(14(15,16)17)21-5-3-18-4-6-21;;/h11-12,18H,2-10H2,1H3,(H,19,22);2*1H.
What are the key properties of 4-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-2-carboxamide;dihydrochloride?
4-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-2-carboxamide;dihydrochloride has a molecular weight of 411.30 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 120810580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).