3,3,3-trifluoro-1-[(1R,2R)-2-hydroxy-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propan-1-one

C20H25F3N2O3 — CID 30897670

IUPAC3,3,3-trifluoro-1-[(1R,2R)-2-hydroxy-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propan-1-one
SMILESO=C(CC(F)(F)F)N1CCC2(CC1)c1ccccc1[C@@H](N1CCOCC1)[C@@H]2O
InChIInChI=1S/C20H25F3N2O3/c21-20(22,23)13-16(26)24-7-5-19(6-8-24)15-4-2-1-3-14(15)17(18(19)27)25-9-11-28-12-10-25/h1-4,17-18,27H,5-13H2/t17-,18+/m1/s1
InChIKeyRCZWUTKIKHEMTD-MSOLQXFVSA-N
MW398.43 g/mol
LogP2.25
Rot. Bonds2

About 3,3,3-trifluoro-1-[(1R,2R)-2-hydroxy-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propan-1-one

3,3,3-trifluoro-1-[(1R,2R)-2-hydroxy-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propan-1-one (PubChem CID 30897670) has the molecular formula C20H25F3N2O3 and a molecular weight of 398.43 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-[(1R,2R)-2-hydroxy-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-[(1R,2R)-2-hydroxy-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propan-1-one
PubChem CID30897670
Molecular FormulaC20H25F3N2O3
Molecular Weight398.43 g/mol
Exact Mass398.18
IUPAC Name3,3,3-trifluoro-1-[(1R,2R)-2-hydroxy-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propan-1-one
SMILESO=C(CC(F)(F)F)N1CCC2(CC1)c1ccccc1[C@@H](N1CCOCC1)[C@@H]2O
InChIInChI=1S/C20H25F3N2O3/c21-20(22,23)13-16(26)24-7-5-19(6-8-24)15-4-2-1-3-14(15)17(18(19)27)25-9-11-28-12-10-25/h1-4,17-18,27H,5-13H2/t17-,18+/m1/s1
InChIKeyRCZWUTKIKHEMTD-MSOLQXFVSA-N
XLogP2.25
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 52.25
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-1-[(1R,2R)-2-hydroxy-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-[(1R,2R)-2-hydroxy-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propan-1-one (CID 30897670) is 3,3,3-trifluoro-1-[(1R,2R)-2-hydroxy-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-[(1R,2R)-2-hydroxy-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-[(1R,2R)-2-hydroxy-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propan-1-one is O=C(CC(F)(F)F)N1CCC2(CC1)c1ccccc1[C@@H](N1CCOCC1)[C@@H]2O.
What is the InChIKey of 3,3,3-trifluoro-1-[(1R,2R)-2-hydroxy-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propan-1-one?
The InChIKey is RCZWUTKIKHEMTD-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H25F3N2O3/c21-20(22,23)13-16(26)24-7-5-19(6-8-24)15-4-2-1-3-14(15)17(18(19)27)25-9-11-28-12-10-25/h1-4,17-18,27H,5-13H2/t17-,18+/m1/s1.
What are the key properties of 3,3,3-trifluoro-1-[(1R,2R)-2-hydroxy-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propan-1-one?
3,3,3-trifluoro-1-[(1R,2R)-2-hydroxy-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propan-1-one has a molecular weight of 398.43 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-[(1R,2R)-2-hydroxy-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propan-1-one is sourced from PubChem (CID 30897670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).