4-[(3R)-3-methylmorpholin-4-yl]-6-[2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]piperidin-2-one

C21H28F3N3O2 — CID 163200012

IUPAC4-[(3R)-3-methylmorpholin-4-yl]-6-[2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]piperidin-2-one
SMILESC[C@@H]1COCCN1C1CC(=O)NC(N2CCCC2c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C21H28F3N3O2/c1-14-13-29-9-8-26(14)17-11-19(25-20(28)12-17)27-7-3-6-18(27)15-4-2-5-16(10-15)21(22,23)24/h2,4-5,10,14,17-19H,3,6-9,11-13H2,1H3,(H,25,28)/t14-,17?,18?,19?/m1/s1
InChIKeyCJYXUIBWMMDWRJ-ZJOYKNTBSA-N
MW411.47 g/mol
LogP3.17
Rot. Bonds3

About 4-[(3R)-3-methylmorpholin-4-yl]-6-[2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]piperidin-2-one

4-[(3R)-3-methylmorpholin-4-yl]-6-[2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]piperidin-2-one (PubChem CID 163200012) has the molecular formula C21H28F3N3O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 4-[(3R)-3-methylmorpholin-4-yl]-6-[2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]piperidin-2-one.

Molecular Properties

Compound Name4-[(3R)-3-methylmorpholin-4-yl]-6-[2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]piperidin-2-one
PubChem CID163200012
Molecular FormulaC21H28F3N3O2
Molecular Weight411.47 g/mol
Exact Mass411.21
IUPAC Name4-[(3R)-3-methylmorpholin-4-yl]-6-[2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]piperidin-2-one
SMILESC[C@@H]1COCCN1C1CC(=O)NC(N2CCCC2c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C21H28F3N3O2/c1-14-13-29-9-8-26(14)17-11-19(25-20(28)12-17)27-7-3-6-18(27)15-4-2-5-16(10-15)21(22,23)24/h2,4-5,10,14,17-19H,3,6-9,11-13H2,1H3,(H,25,28)/t14-,17?,18?,19?/m1/s1
InChIKeyCJYXUIBWMMDWRJ-ZJOYKNTBSA-N
XLogP3.17
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(3R)-3-methylmorpholin-4-yl]-6-[2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]piperidin-2-one with MolForge

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Related Compounds

ethyl 2-[(4R,5S,6R)-5-acetyl-6-methyl-2-oxo-4-[3-(trifluoromethyl)phenyl]-1,3-diazinan-1-yl]acetate
CID 16759614
(4R,5S,6R)-5-acetyl-1-(2-methoxyethyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]hexahydropyrimidin-2-one
CID 16759637
US10285989, Example 132
CID 145996204
US11077113, Example 12
CID 162533422
US11179399, Example 13
CID 163200003
US11179399, Example 13_1
CID 163200004
US11179399, Example 13_2
CID 163200005
US11179399, Example 14
CID 163200006
US11179399, Example 14_1
CID 163200007
US11179399, Example 14_2
CID 163200008
US11179399, Example 16_1
CID 163200013
US11179399, Example 16_2
CID 163200014

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-methylmorpholin-4-yl]-6-[2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]piperidin-2-one?
The IUPAC name of 4-[(3R)-3-methylmorpholin-4-yl]-6-[2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]piperidin-2-one (CID 163200012) is 4-[(3R)-3-methylmorpholin-4-yl]-6-[2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]piperidin-2-one.
What is the SMILES notation for 4-[(3R)-3-methylmorpholin-4-yl]-6-[2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]piperidin-2-one?
The canonical SMILES for 4-[(3R)-3-methylmorpholin-4-yl]-6-[2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]piperidin-2-one is C[C@@H]1COCCN1C1CC(=O)NC(N2CCCC2c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 4-[(3R)-3-methylmorpholin-4-yl]-6-[2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]piperidin-2-one?
The InChIKey is CJYXUIBWMMDWRJ-ZJOYKNTBSA-N. The full InChI is InChI=1S/C21H28F3N3O2/c1-14-13-29-9-8-26(14)17-11-19(25-20(28)12-17)27-7-3-6-18(27)15-4-2-5-16(10-15)21(22,23)24/h2,4-5,10,14,17-19H,3,6-9,11-13H2,1H3,(H,25,28)/t14-,17?,18?,19?/m1/s1.
What are the key properties of 4-[(3R)-3-methylmorpholin-4-yl]-6-[2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]piperidin-2-one?
4-[(3R)-3-methylmorpholin-4-yl]-6-[2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]piperidin-2-one has a molecular weight of 411.47 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-methylmorpholin-4-yl]-6-[2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]piperidin-2-one is sourced from PubChem (CID 163200012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).