(2R)-3,3,3-trifluoro-1-[(2R)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]morpholin-4-yl]-2-methoxy-2-phenylpropan-1-one

C27H32F4N2O3 — CID 20739776

IUPAC(2R)-3,3,3-trifluoro-1-[(2R)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]morpholin-4-yl]-2-methoxy-2-phenylpropan-1-one
SMILESCO[C@@](C(=O)N1CCO[C@H](CN2CCC(Cc3ccc(F)cc3)CC2)C1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C27H32F4N2O3/c1-35-26(27(29,30)31,22-5-3-2-4-6-22)25(34)33-15-16-36-24(19-33)18-32-13-11-21(12-14-32)17-20-7-9-23(28)10-8-20/h2-10,21,24H,11-19H2,1H3/t24-,26-/m1/s1
InChIKeyJASOOGHFYRZJDH-AOYPEHQESA-N
MW508.56 g/mol
LogP4.41
Rot. Bonds7

About (2R)-3,3,3-trifluoro-1-[(2R)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]morpholin-4-yl]-2-methoxy-2-phenylpropan-1-one

(2R)-3,3,3-trifluoro-1-[(2R)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]morpholin-4-yl]-2-methoxy-2-phenylpropan-1-one (PubChem CID 20739776) has the molecular formula C27H32F4N2O3 and a molecular weight of 508.56 g/mol. Its IUPAC name is (2R)-3,3,3-trifluoro-1-[(2R)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]morpholin-4-yl]-2-methoxy-2-phenylpropan-1-one.

Molecular Properties

Compound Name(2R)-3,3,3-trifluoro-1-[(2R)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]morpholin-4-yl]-2-methoxy-2-phenylpropan-1-one
PubChem CID20739776
Molecular FormulaC27H32F4N2O3
Molecular Weight508.56 g/mol
Exact Mass508.23
IUPAC Name(2R)-3,3,3-trifluoro-1-[(2R)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]morpholin-4-yl]-2-methoxy-2-phenylpropan-1-one
SMILESCO[C@@](C(=O)N1CCO[C@H](CN2CCC(Cc3ccc(F)cc3)CC2)C1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C27H32F4N2O3/c1-35-26(27(29,30)31,22-5-3-2-4-6-22)25(34)33-15-16-36-24(19-33)18-32-13-11-21(12-14-32)17-20-7-9-23(28)10-8-20/h2-10,21,24H,11-19H2,1H3/t24-,26-/m1/s1
InChIKeyJASOOGHFYRZJDH-AOYPEHQESA-N
XLogP4.41
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.56
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-3,3,3-trifluoro-1-[(2R)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]morpholin-4-yl]-2-methoxy-2-phenylpropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-3,3,3-trifluoro-1-[(2R)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]morpholin-4-yl]-2-methoxy-2-phenylpropan-1-one?
The IUPAC name of (2R)-3,3,3-trifluoro-1-[(2R)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]morpholin-4-yl]-2-methoxy-2-phenylpropan-1-one (CID 20739776) is (2R)-3,3,3-trifluoro-1-[(2R)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]morpholin-4-yl]-2-methoxy-2-phenylpropan-1-one.
What is the SMILES notation for (2R)-3,3,3-trifluoro-1-[(2R)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]morpholin-4-yl]-2-methoxy-2-phenylpropan-1-one?
The canonical SMILES for (2R)-3,3,3-trifluoro-1-[(2R)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]morpholin-4-yl]-2-methoxy-2-phenylpropan-1-one is CO[C@@](C(=O)N1CCO[C@H](CN2CCC(Cc3ccc(F)cc3)CC2)C1)(c1ccccc1)C(F)(F)F.
What is the InChIKey of (2R)-3,3,3-trifluoro-1-[(2R)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]morpholin-4-yl]-2-methoxy-2-phenylpropan-1-one?
The InChIKey is JASOOGHFYRZJDH-AOYPEHQESA-N. The full InChI is InChI=1S/C27H32F4N2O3/c1-35-26(27(29,30)31,22-5-3-2-4-6-22)25(34)33-15-16-36-24(19-33)18-32-13-11-21(12-14-32)17-20-7-9-23(28)10-8-20/h2-10,21,24H,11-19H2,1H3/t24-,26-/m1/s1.
What are the key properties of (2R)-3,3,3-trifluoro-1-[(2R)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]morpholin-4-yl]-2-methoxy-2-phenylpropan-1-one?
(2R)-3,3,3-trifluoro-1-[(2R)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]morpholin-4-yl]-2-methoxy-2-phenylpropan-1-one has a molecular weight of 508.56 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3,3-trifluoro-1-[(2R)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]morpholin-4-yl]-2-methoxy-2-phenylpropan-1-one is sourced from PubChem (CID 20739776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).