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

C21H23F2N3O3 — CID 154571138

IUPAC6-[(4-fluorophenoxy)methyl]-4-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]morpholin-3-one
SMILESO=C1COC(COc2ccc(F)cc2)CN1C1CCN(c2ncccc2F)CC1
InChIInChI=1S/C21H23F2N3O3/c22-15-3-5-17(6-4-15)28-13-18-12-26(20(27)14-29-18)16-7-10-25(11-8-16)21-19(23)2-1-9-24-21/h1-6,9,16,18H,7-8,10-14H2
InChIKeyCWMZCLKUSUWSAT-UHFFFAOYSA-N
MW403.43 g/mol
LogP2.63
Rot. Bonds5

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

6-[(4-fluorophenoxy)methyl]-4-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]morpholin-3-one (PubChem CID 154571138) has the molecular formula C21H23F2N3O3 and a molecular weight of 403.43 g/mol. Its IUPAC name is 6-[(4-fluorophenoxy)methyl]-4-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]morpholin-3-one.

Molecular Properties

Compound Name6-[(4-fluorophenoxy)methyl]-4-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]morpholin-3-one
PubChem CID154571138
Molecular FormulaC21H23F2N3O3
Molecular Weight403.43 g/mol
Exact Mass403.17
IUPAC Name6-[(4-fluorophenoxy)methyl]-4-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]morpholin-3-one
SMILESO=C1COC(COc2ccc(F)cc2)CN1C1CCN(c2ncccc2F)CC1
InChIInChI=1S/C21H23F2N3O3/c22-15-3-5-17(6-4-15)28-13-18-12-26(20(27)14-29-18)16-7-10-25(11-8-16)21-19(23)2-1-9-24-21/h1-6,9,16,18H,7-8,10-14H2
InChIKeyCWMZCLKUSUWSAT-UHFFFAOYSA-N
XLogP2.63
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[(4-fluorophenoxy)methyl]-4-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]morpholin-3-one with MolForge

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Related Compounds

(6S)-6-[(4-fluorophenoxy)methyl]-4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]morpholin-3-one
CID 125170900
(6R)-4-(1-ethylpiperidin-4-yl)-6-[(4-fluorophenoxy)methyl]morpholin-3-one
CID 125161379
(6S)-6-[(4-fluorophenoxy)methyl]-4-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]morpholin-3-one
CID 125175144
6-[(4-fluorophenoxy)methyl]-4-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]morpholin-3-one
CID 118791221
(6R)-6-[(4-fluorophenoxy)methyl]-4-[1-[2-(1,2,4-triazol-4-yl)ethyl]piperidin-4-yl]morpholin-3-one
CID 125159849
(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
6-[(4-fluorophenoxy)methyl]-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]morpholin-3-one
CID 118773433
4-[1-(3-aminopropanoyl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one;hydrochloride
CID 154919485
4-[1-(6-amino-2-methylpyrimidin-4-yl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one
CID 154566236
6-[(4-fluorophenoxy)methyl]-4-[1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl]morpholin-3-one
CID 154571931
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 6-[(4-fluorophenoxy)methyl]-4-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]morpholin-3-one?
The IUPAC name of 6-[(4-fluorophenoxy)methyl]-4-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]morpholin-3-one (CID 154571138) is 6-[(4-fluorophenoxy)methyl]-4-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]morpholin-3-one.
What is the SMILES notation for 6-[(4-fluorophenoxy)methyl]-4-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]morpholin-3-one?
The canonical SMILES for 6-[(4-fluorophenoxy)methyl]-4-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]morpholin-3-one is O=C1COC(COc2ccc(F)cc2)CN1C1CCN(c2ncccc2F)CC1.
What is the InChIKey of 6-[(4-fluorophenoxy)methyl]-4-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]morpholin-3-one?
The InChIKey is CWMZCLKUSUWSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O3/c22-15-3-5-17(6-4-15)28-13-18-12-26(20(27)14-29-18)16-7-10-25(11-8-16)21-19(23)2-1-9-24-21/h1-6,9,16,18H,7-8,10-14H2.
What are the key properties of 6-[(4-fluorophenoxy)methyl]-4-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]morpholin-3-one?
6-[(4-fluorophenoxy)methyl]-4-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]morpholin-3-one has a molecular weight of 403.43 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenoxy)methyl]-4-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]morpholin-3-one is sourced from PubChem (CID 154571138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).