N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-3-carboxamide

C14H24F3N3O2 — CID 119898393

IUPACN-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-3-carboxamide
SMILESO=C(NCCC1CCN(CC(F)(F)F)CC1)C1COCCN1
InChIInChI=1S/C14H24F3N3O2/c15-14(16,17)10-20-6-2-11(3-7-20)1-4-19-13(21)12-9-22-8-5-18-12/h11-12,18H,1-10H2,(H,19,21)
InChIKeyPMYNFUJXFQTSIX-UHFFFAOYSA-N
MW323.36 g/mol
LogP0.76
Rot. Bonds5

About N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-3-carboxamide

N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-3-carboxamide (PubChem CID 119898393) has the molecular formula C14H24F3N3O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-3-carboxamide
PubChem CID119898393
Molecular FormulaC14H24F3N3O2
Molecular Weight323.36 g/mol
Exact Mass323.18
IUPAC NameN-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-3-carboxamide
SMILESO=C(NCCC1CCN(CC(F)(F)F)CC1)C1COCCN1
InChIInChI=1S/C14H24F3N3O2/c15-14(16,17)10-20-6-2-11(3-7-20)1-4-19-13(21)12-9-22-8-5-18-12/h11-12,18H,1-10H2,(H,19,21)
InChIKeyPMYNFUJXFQTSIX-UHFFFAOYSA-N
XLogP0.76
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-3-carboxamide?
The IUPAC name of N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-3-carboxamide (CID 119898393) is N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-3-carboxamide?
The canonical SMILES for N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-3-carboxamide is O=C(NCCC1CCN(CC(F)(F)F)CC1)C1COCCN1.
What is the InChIKey of N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-3-carboxamide?
The InChIKey is PMYNFUJXFQTSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3O2/c15-14(16,17)10-20-6-2-11(3-7-20)1-4-19-13(21)12-9-22-8-5-18-12/h11-12,18H,1-10H2,(H,19,21).
What are the key properties of N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-3-carboxamide?
N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-3-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-3-carboxamide is sourced from PubChem (CID 119898393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).