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

C14H25F3N4O2 — CID 120810581

IUPAC4-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-2-carboxamide
SMILESCCN1CCOC(C(=O)NCC(N2CCNCC2)C(F)(F)F)C1
InChIInChI=1S/C14H25F3N4O2/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)
InChIKeyCGBTVDISTMFJGV-UHFFFAOYSA-N
MW338.37 g/mol
LogP-0.34
Rot. Bonds5

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

4-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-2-carboxamide (PubChem CID 120810581) has the molecular formula C14H25F3N4O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 4-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-2-carboxamide
PubChem CID120810581
Molecular FormulaC14H25F3N4O2
Molecular Weight338.37 g/mol
Exact Mass338.19
IUPAC Name4-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-2-carboxamide
SMILESCCN1CCOC(C(=O)NCC(N2CCNCC2)C(F)(F)F)C1
InChIInChI=1S/C14H25F3N4O2/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)
InChIKeyCGBTVDISTMFJGV-UHFFFAOYSA-N
XLogP-0.34
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-2-carboxamide?
The IUPAC name of 4-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-2-carboxamide (CID 120810581) is 4-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-2-carboxamide?
The canonical SMILES for 4-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-2-carboxamide is CCN1CCOC(C(=O)NCC(N2CCNCC2)C(F)(F)F)C1.
What is the InChIKey of 4-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-2-carboxamide?
The InChIKey is CGBTVDISTMFJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N4O2/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).
What are the key properties of 4-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-2-carboxamide?
4-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-2-carboxamide has a molecular weight of 338.37 g/mol, XLogP of -0.34, 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 is sourced from PubChem (CID 120810581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).