3,3,3-trifluoro-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]propanamide

C16H28F3N3O2 — CID 134505559

IUPAC3,3,3-trifluoro-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]propanamide
SMILESCC(C)N1CCC(CN2CCOCC2)(NC(=O)CC(F)(F)F)CC1
InChIInChI=1S/C16H28F3N3O2/c1-13(2)22-5-3-15(4-6-22,12-21-7-9-24-10-8-21)20-14(23)11-16(17,18)19/h13H,3-12H2,1-2H3,(H,20,23)
InChIKeyZVQNMJFYUAYLGC-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.63
Rot. Bonds5

About 3,3,3-trifluoro-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]propanamide

3,3,3-trifluoro-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]propanamide (PubChem CID 134505559) has the molecular formula C16H28F3N3O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]propanamide
PubChem CID134505559
Molecular FormulaC16H28F3N3O2
Molecular Weight351.41 g/mol
Exact Mass351.21
IUPAC Name3,3,3-trifluoro-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]propanamide
SMILESCC(C)N1CCC(CN2CCOCC2)(NC(=O)CC(F)(F)F)CC1
InChIInChI=1S/C16H28F3N3O2/c1-13(2)22-5-3-15(4-6-22,12-21-7-9-24-10-8-21)20-14(23)11-16(17,18)19/h13H,3-12H2,1-2H3,(H,20,23)
InChIKeyZVQNMJFYUAYLGC-UHFFFAOYSA-N
XLogP1.63
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.63
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-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]propanamide (CID 134505559) is 3,3,3-trifluoro-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]propanamide is CC(C)N1CCC(CN2CCOCC2)(NC(=O)CC(F)(F)F)CC1.
What is the InChIKey of 3,3,3-trifluoro-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]propanamide?
The InChIKey is ZVQNMJFYUAYLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F3N3O2/c1-13(2)22-5-3-15(4-6-22,12-21-7-9-24-10-8-21)20-14(23)11-16(17,18)19/h13H,3-12H2,1-2H3,(H,20,23).
What are the key properties of 3,3,3-trifluoro-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]propanamide?
3,3,3-trifluoro-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]propanamide has a molecular weight of 351.41 g/mol, XLogP of 1.63, 5 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-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]propanamide is sourced from PubChem (CID 134505559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).