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

C22H30F3N3O3 — CID 66761011

IUPAC2,2-dimethyl-N-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]propanamide
SMILESCC(C)(C)C(=O)NC1CC(c2ccc(C(F)(F)F)cc2)CN(C(=O)N2CCOCC2)C1
InChIInChI=1S/C22H30F3N3O3/c1-21(2,3)19(29)26-18-12-16(15-4-6-17(7-5-15)22(23,24)25)13-28(14-18)20(30)27-8-10-31-11-9-27/h4-7,16,18H,8-14H2,1-3H3,(H,26,29)
InChIKeyAKRSVKGFIRFIEI-UHFFFAOYSA-N
MW441.49 g/mol
LogP3.48
Rot. Bonds2

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

2,2-dimethyl-N-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]propanamide (PubChem CID 66761011) has the molecular formula C22H30F3N3O3 and a molecular weight of 441.49 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]propanamide
PubChem CID66761011
Molecular FormulaC22H30F3N3O3
Molecular Weight441.49 g/mol
Exact Mass441.22
IUPAC Name2,2-dimethyl-N-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]propanamide
SMILESCC(C)(C)C(=O)NC1CC(c2ccc(C(F)(F)F)cc2)CN(C(=O)N2CCOCC2)C1
InChIInChI=1S/C22H30F3N3O3/c1-21(2,3)19(29)26-18-12-16(15-4-6-17(7-5-15)22(23,24)25)13-28(14-18)20(30)27-8-10-31-11-9-27/h4-7,16,18H,8-14H2,1-3H3,(H,26,29)
InChIKeyAKRSVKGFIRFIEI-UHFFFAOYSA-N
XLogP3.48
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]propanamide (CID 66761011) is 2,2-dimethyl-N-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]propanamide is CC(C)(C)C(=O)NC1CC(c2ccc(C(F)(F)F)cc2)CN(C(=O)N2CCOCC2)C1.
What is the InChIKey of 2,2-dimethyl-N-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]propanamide?
The InChIKey is AKRSVKGFIRFIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30F3N3O3/c1-21(2,3)19(29)26-18-12-16(15-4-6-17(7-5-15)22(23,24)25)13-28(14-18)20(30)27-8-10-31-11-9-27/h4-7,16,18H,8-14H2,1-3H3,(H,26,29).
What are the key properties of 2,2-dimethyl-N-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]propanamide?
2,2-dimethyl-N-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]propanamide has a molecular weight of 441.49 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 66761011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).