3,3,3-trifluoro-N-[1-methyl-4-(morpholin-4-ylmethyl)piperidin-4-yl]propanamide

C14H24F3N3O2 — CID 134435833

IUPAC3,3,3-trifluoro-N-[1-methyl-4-(morpholin-4-ylmethyl)piperidin-4-yl]propanamide
SMILESCN1CCC(CN2CCOCC2)(NC(=O)CC(F)(F)F)CC1
InChIInChI=1S/C14H24F3N3O2/c1-19-4-2-13(3-5-19,11-20-6-8-22-9-7-20)18-12(21)10-14(15,16)17/h2-11H2,1H3,(H,18,21)
InChIKeyXOQFBEGNEGIFKG-UHFFFAOYSA-N
MW323.36 g/mol
LogP0.85
Rot. Bonds4

About 3,3,3-trifluoro-N-[1-methyl-4-(morpholin-4-ylmethyl)piperidin-4-yl]propanamide

3,3,3-trifluoro-N-[1-methyl-4-(morpholin-4-ylmethyl)piperidin-4-yl]propanamide (PubChem CID 134435833) has the molecular formula C14H24F3N3O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[1-methyl-4-(morpholin-4-ylmethyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[1-methyl-4-(morpholin-4-ylmethyl)piperidin-4-yl]propanamide
PubChem CID134435833
Molecular FormulaC14H24F3N3O2
Molecular Weight323.36 g/mol
Exact Mass323.18
IUPAC Name3,3,3-trifluoro-N-[1-methyl-4-(morpholin-4-ylmethyl)piperidin-4-yl]propanamide
SMILESCN1CCC(CN2CCOCC2)(NC(=O)CC(F)(F)F)CC1
InChIInChI=1S/C14H24F3N3O2/c1-19-4-2-13(3-5-19,11-20-6-8-22-9-7-20)18-12(21)10-14(15,16)17/h2-11H2,1H3,(H,18,21)
InChIKeyXOQFBEGNEGIFKG-UHFFFAOYSA-N
XLogP0.85
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[1-methyl-4-(morpholin-4-ylmethyl)piperidin-4-yl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[1-methyl-4-(morpholin-4-ylmethyl)piperidin-4-yl]propanamide (CID 134435833) is 3,3,3-trifluoro-N-[1-methyl-4-(morpholin-4-ylmethyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[1-methyl-4-(morpholin-4-ylmethyl)piperidin-4-yl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[1-methyl-4-(morpholin-4-ylmethyl)piperidin-4-yl]propanamide is CN1CCC(CN2CCOCC2)(NC(=O)CC(F)(F)F)CC1.
What is the InChIKey of 3,3,3-trifluoro-N-[1-methyl-4-(morpholin-4-ylmethyl)piperidin-4-yl]propanamide?
The InChIKey is XOQFBEGNEGIFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3O2/c1-19-4-2-13(3-5-19,11-20-6-8-22-9-7-20)18-12(21)10-14(15,16)17/h2-11H2,1H3,(H,18,21).
What are the key properties of 3,3,3-trifluoro-N-[1-methyl-4-(morpholin-4-ylmethyl)piperidin-4-yl]propanamide?
3,3,3-trifluoro-N-[1-methyl-4-(morpholin-4-ylmethyl)piperidin-4-yl]propanamide has a molecular weight of 323.36 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[1-methyl-4-(morpholin-4-ylmethyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 134435833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).