2-methyl-N-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]propanamide

C21H28F3N3O3 — CID 66701415

IUPAC2-methyl-N-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]propanamide
SMILESCC(C)C(=O)NC1CC(c2ccc(C(F)(F)F)cc2)CN(C(=O)N2CCOCC2)C1
InChIInChI=1S/C21H28F3N3O3/c1-14(2)19(28)25-18-11-16(15-3-5-17(6-4-15)21(22,23)24)12-27(13-18)20(29)26-7-9-30-10-8-26/h3-6,14,16,18H,7-13H2,1-2H3,(H,25,28)
InChIKeyUEGBKGVIZOHZDF-UHFFFAOYSA-N
MW427.47 g/mol
LogP3.09
Rot. Bonds3

About 2-methyl-N-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]propanamide

2-methyl-N-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]propanamide (PubChem CID 66701415) has the molecular formula C21H28F3N3O3 and a molecular weight of 427.47 g/mol. Its IUPAC name is 2-methyl-N-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]propanamide
PubChem CID66701415
Molecular FormulaC21H28F3N3O3
Molecular Weight427.47 g/mol
Exact Mass427.21
IUPAC Name2-methyl-N-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]propanamide
SMILESCC(C)C(=O)NC1CC(c2ccc(C(F)(F)F)cc2)CN(C(=O)N2CCOCC2)C1
InChIInChI=1S/C21H28F3N3O3/c1-14(2)19(28)25-18-11-16(15-3-5-17(6-4-15)21(22,23)24)12-27(13-18)20(29)26-7-9-30-10-8-26/h3-6,14,16,18H,7-13H2,1-2H3,(H,25,28)
InChIKeyUEGBKGVIZOHZDF-UHFFFAOYSA-N
XLogP3.09
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]propanamide?
The IUPAC name of 2-methyl-N-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]propanamide (CID 66701415) is 2-methyl-N-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]propanamide?
The canonical SMILES for 2-methyl-N-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]propanamide is CC(C)C(=O)NC1CC(c2ccc(C(F)(F)F)cc2)CN(C(=O)N2CCOCC2)C1.
What is the InChIKey of 2-methyl-N-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]propanamide?
The InChIKey is UEGBKGVIZOHZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28F3N3O3/c1-14(2)19(28)25-18-11-16(15-3-5-17(6-4-15)21(22,23)24)12-27(13-18)20(29)26-7-9-30-10-8-26/h3-6,14,16,18H,7-13H2,1-2H3,(H,25,28).
What are the key properties of 2-methyl-N-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]propanamide?
2-methyl-N-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]propanamide has a molecular weight of 427.47 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 66701415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).