(6S)-6-[(4-fluorophenoxy)methyl]-4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]morpholin-3-one

C23H26F2N2O3 — CID 125170900

IUPAC(6S)-6-[(4-fluorophenoxy)methyl]-4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]morpholin-3-one
SMILESO=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C23H26F2N2O3/c24-18-5-7-20(8-6-18)29-15-21-14-27(23(28)16-30-21)19-9-11-26(12-10-19)13-17-3-1-2-4-22(17)25/h1-8,19,21H,9-16H2/t21-/m0/s1
InChIKeyZYPHDWZNGQDHQA-NRFANRHFSA-N
MW416.47 g/mol
LogP3.24
Rot. Bonds6

About (6S)-6-[(4-fluorophenoxy)methyl]-4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]morpholin-3-one

(6S)-6-[(4-fluorophenoxy)methyl]-4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]morpholin-3-one (PubChem CID 125170900) has the molecular formula C23H26F2N2O3 and a molecular weight of 416.47 g/mol. Its IUPAC name is (6S)-6-[(4-fluorophenoxy)methyl]-4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]morpholin-3-one.

Molecular Properties

Compound Name(6S)-6-[(4-fluorophenoxy)methyl]-4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]morpholin-3-one
PubChem CID125170900
Molecular FormulaC23H26F2N2O3
Molecular Weight416.47 g/mol
Exact Mass416.19
IUPAC Name(6S)-6-[(4-fluorophenoxy)methyl]-4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]morpholin-3-one
SMILESO=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C23H26F2N2O3/c24-18-5-7-20(8-6-18)29-15-21-14-27(23(28)16-30-21)19-9-11-26(12-10-19)13-17-3-1-2-4-22(17)25/h1-8,19,21H,9-16H2/t21-/m0/s1
InChIKeyZYPHDWZNGQDHQA-NRFANRHFSA-N
XLogP3.24
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6R)-4-(1-ethylpiperidin-4-yl)-6-[(4-fluorophenoxy)methyl]morpholin-3-one
CID 125161379
6-[(4-fluorophenoxy)methyl]-4-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]morpholin-3-one
CID 154571138
4-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one
CID 118760835
6-[(4-fluorophenoxy)methyl]-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]morpholin-3-one
CID 118773433
6-[(4-fluorophenoxy)methyl]-4-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]morpholin-3-one
CID 118791221
(6S)-4-[1-(cyclobutylmethyl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one
CID 125178160
(6R)-6-[(4-fluorophenoxy)methyl]-4-[1-[(3-methylpyrazin-2-yl)methyl]piperidin-4-yl]morpholin-3-one
CID 125176828
(6R)-6-[(4-fluorophenoxy)methyl]-4-[1-[2-(1,2,4-triazol-4-yl)ethyl]piperidin-4-yl]morpholin-3-one
CID 125159849
(6S)-6-[(4-fluorophenoxy)methyl]-4-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]morpholin-3-one
CID 125179516
(6S)-6-[(4-fluorophenoxy)methyl]-4-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]morpholin-3-one
CID 125175144
(6S)-4-[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one
CID 125165704
4-[1-[(1,2-dimethylimidazol-4-yl)methyl]piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one
CID 146044661

Frequently Asked Questions

What is the IUPAC name of (6S)-6-[(4-fluorophenoxy)methyl]-4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]morpholin-3-one?
The IUPAC name of (6S)-6-[(4-fluorophenoxy)methyl]-4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]morpholin-3-one (CID 125170900) is (6S)-6-[(4-fluorophenoxy)methyl]-4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]morpholin-3-one.
What is the SMILES notation for (6S)-6-[(4-fluorophenoxy)methyl]-4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]morpholin-3-one?
The canonical SMILES for (6S)-6-[(4-fluorophenoxy)methyl]-4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]morpholin-3-one is O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of (6S)-6-[(4-fluorophenoxy)methyl]-4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]morpholin-3-one?
The InChIKey is ZYPHDWZNGQDHQA-NRFANRHFSA-N. The full InChI is InChI=1S/C23H26F2N2O3/c24-18-5-7-20(8-6-18)29-15-21-14-27(23(28)16-30-21)19-9-11-26(12-10-19)13-17-3-1-2-4-22(17)25/h1-8,19,21H,9-16H2/t21-/m0/s1.
What are the key properties of (6S)-6-[(4-fluorophenoxy)methyl]-4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]morpholin-3-one?
(6S)-6-[(4-fluorophenoxy)methyl]-4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]morpholin-3-one has a molecular weight of 416.47 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[(4-fluorophenoxy)methyl]-4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]morpholin-3-one is sourced from PubChem (CID 125170900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).