(6R)-6-[(4-fluorophenoxy)methyl]-4-[1-[2-(1,2,4-triazol-4-yl)ethyl]piperidin-4-yl]morpholin-3-one

C20H26FN5O3 — CID 125159849

IUPAC(6R)-6-[(4-fluorophenoxy)methyl]-4-[1-[2-(1,2,4-triazol-4-yl)ethyl]piperidin-4-yl]morpholin-3-one
SMILESO=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CCN(CCn2cnnc2)CC1
InChIInChI=1S/C20H26FN5O3/c21-16-1-3-18(4-2-16)28-12-19-11-26(20(27)13-29-19)17-5-7-24(8-6-17)9-10-25-14-22-23-15-25/h1-4,14-15,17,19H,5-13H2/t19-/m1/s1
InChIKeyVTAHPZYSHLRCCS-LJQANCHMSA-N
MW403.46 g/mol
LogP1.19
Rot. Bonds7

About (6R)-6-[(4-fluorophenoxy)methyl]-4-[1-[2-(1,2,4-triazol-4-yl)ethyl]piperidin-4-yl]morpholin-3-one

(6R)-6-[(4-fluorophenoxy)methyl]-4-[1-[2-(1,2,4-triazol-4-yl)ethyl]piperidin-4-yl]morpholin-3-one (PubChem CID 125159849) has the molecular formula C20H26FN5O3 and a molecular weight of 403.46 g/mol. Its IUPAC name is (6R)-6-[(4-fluorophenoxy)methyl]-4-[1-[2-(1,2,4-triazol-4-yl)ethyl]piperidin-4-yl]morpholin-3-one.

Molecular Properties

Compound Name(6R)-6-[(4-fluorophenoxy)methyl]-4-[1-[2-(1,2,4-triazol-4-yl)ethyl]piperidin-4-yl]morpholin-3-one
PubChem CID125159849
Molecular FormulaC20H26FN5O3
Molecular Weight403.46 g/mol
Exact Mass403.20
IUPAC Name(6R)-6-[(4-fluorophenoxy)methyl]-4-[1-[2-(1,2,4-triazol-4-yl)ethyl]piperidin-4-yl]morpholin-3-one
SMILESO=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CCN(CCn2cnnc2)CC1
InChIInChI=1S/C20H26FN5O3/c21-16-1-3-18(4-2-16)28-12-19-11-26(20(27)13-29-19)17-5-7-24(8-6-17)9-10-25-14-22-23-15-25/h1-4,14-15,17,19H,5-13H2/t19-/m1/s1
InChIKeyVTAHPZYSHLRCCS-LJQANCHMSA-N
XLogP1.19
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (6R)-6-[(4-fluorophenoxy)methyl]-4-[1-[2-(1,2,4-triazol-4-yl)ethyl]piperidin-4-yl]morpholin-3-one with MolForge

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Related Compounds

(6S)-6-[(4-fluorophenoxy)methyl]-4-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-4-yl]morpholin-3-one
CID 125178356
(6S)-6-[(4-fluorophenoxy)methyl]-4-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]morpholin-3-one
CID 125175144
(6R)-4-(1-ethylpiperidin-4-yl)-6-[(4-fluorophenoxy)methyl]morpholin-3-one
CID 125161379
6-[(4-fluorophenoxy)methyl]-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]morpholin-3-one
CID 118773433
(6S)-4-[1-(cyclobutylmethyl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one
CID 125178160
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-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]morpholin-3-one
CID 118791221
6-[(4-fluorophenoxy)methyl]-4-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]morpholin-3-one
CID 154571138
(6S)-6-[(4-fluorophenoxy)methyl]-4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]morpholin-3-one
CID 125170900
(6R)-6-[(4-fluorophenoxy)methyl]-4-[1-[(3-methylpyrazin-2-yl)methyl]piperidin-4-yl]morpholin-3-one
CID 125176828
4-[1-[(1,2-dimethylimidazol-4-yl)methyl]piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one
CID 146044661
2-[4-[(2R)-2-[(4-fluorophenoxy)methyl]-5-oxomorpholin-4-yl]piperidin-1-yl]-N-methylacetamide
CID 125156221

Frequently Asked Questions

What is the IUPAC name of (6R)-6-[(4-fluorophenoxy)methyl]-4-[1-[2-(1,2,4-triazol-4-yl)ethyl]piperidin-4-yl]morpholin-3-one?
The IUPAC name of (6R)-6-[(4-fluorophenoxy)methyl]-4-[1-[2-(1,2,4-triazol-4-yl)ethyl]piperidin-4-yl]morpholin-3-one (CID 125159849) is (6R)-6-[(4-fluorophenoxy)methyl]-4-[1-[2-(1,2,4-triazol-4-yl)ethyl]piperidin-4-yl]morpholin-3-one.
What is the SMILES notation for (6R)-6-[(4-fluorophenoxy)methyl]-4-[1-[2-(1,2,4-triazol-4-yl)ethyl]piperidin-4-yl]morpholin-3-one?
The canonical SMILES for (6R)-6-[(4-fluorophenoxy)methyl]-4-[1-[2-(1,2,4-triazol-4-yl)ethyl]piperidin-4-yl]morpholin-3-one is O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CCN(CCn2cnnc2)CC1.
What is the InChIKey of (6R)-6-[(4-fluorophenoxy)methyl]-4-[1-[2-(1,2,4-triazol-4-yl)ethyl]piperidin-4-yl]morpholin-3-one?
The InChIKey is VTAHPZYSHLRCCS-LJQANCHMSA-N. The full InChI is InChI=1S/C20H26FN5O3/c21-16-1-3-18(4-2-16)28-12-19-11-26(20(27)13-29-19)17-5-7-24(8-6-17)9-10-25-14-22-23-15-25/h1-4,14-15,17,19H,5-13H2/t19-/m1/s1.
What are the key properties of (6R)-6-[(4-fluorophenoxy)methyl]-4-[1-[2-(1,2,4-triazol-4-yl)ethyl]piperidin-4-yl]morpholin-3-one?
(6R)-6-[(4-fluorophenoxy)methyl]-4-[1-[2-(1,2,4-triazol-4-yl)ethyl]piperidin-4-yl]morpholin-3-one has a molecular weight of 403.46 g/mol, XLogP of 1.19, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[(4-fluorophenoxy)methyl]-4-[1-[2-(1,2,4-triazol-4-yl)ethyl]piperidin-4-yl]morpholin-3-one is sourced from PubChem (CID 125159849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).