6-[(4-fluorophenoxy)methyl]-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]morpholin-3-one

C21H25FN4O3 — CID 118773433

IUPAC6-[(4-fluorophenoxy)methyl]-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]morpholin-3-one
SMILESO=C1COC(COc2ccc(F)cc2)CN1C1CCN(Cc2cncnc2)CC1
InChIInChI=1S/C21H25FN4O3/c22-17-1-3-19(4-2-17)28-13-20-12-26(21(27)14-29-20)18-5-7-25(8-6-18)11-16-9-23-15-24-10-16/h1-4,9-10,15,18,20H,5-8,11-14H2
InChIKeyILQIRFHBIBZLGM-UHFFFAOYSA-N
MW400.45 g/mol
LogP1.89
Rot. Bonds6

About 6-[(4-fluorophenoxy)methyl]-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]morpholin-3-one

6-[(4-fluorophenoxy)methyl]-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]morpholin-3-one (PubChem CID 118773433) has the molecular formula C21H25FN4O3 and a molecular weight of 400.45 g/mol. Its IUPAC name is 6-[(4-fluorophenoxy)methyl]-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]morpholin-3-one.

Molecular Properties

Compound Name6-[(4-fluorophenoxy)methyl]-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]morpholin-3-one
PubChem CID118773433
Molecular FormulaC21H25FN4O3
Molecular Weight400.45 g/mol
Exact Mass400.19
IUPAC Name6-[(4-fluorophenoxy)methyl]-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]morpholin-3-one
SMILESO=C1COC(COc2ccc(F)cc2)CN1C1CCN(Cc2cncnc2)CC1
InChIInChI=1S/C21H25FN4O3/c22-17-1-3-19(4-2-17)28-13-20-12-26(21(27)14-29-20)18-5-7-25(8-6-18)11-16-9-23-15-24-10-16/h1-4,9-10,15,18,20H,5-8,11-14H2
InChIKeyILQIRFHBIBZLGM-UHFFFAOYSA-N
XLogP1.89
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one
CID 118768001
(6R)-4-(1-ethylpiperidin-4-yl)-6-[(4-fluorophenoxy)methyl]morpholin-3-one
CID 125161379
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
4-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one
CID 118771238
(6S)-6-[(4-fluorophenoxy)methyl]-4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]morpholin-3-one
CID 125170900
(6S)-6-[(4-fluorophenoxy)methyl]-4-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]morpholin-3-one
CID 125175144
(6R)-6-[(4-fluorophenoxy)methyl]-4-[1-[(3-methylpyrazin-2-yl)methyl]piperidin-4-yl]morpholin-3-one
CID 125176828
(6S)-4-[1-(cyclobutylmethyl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one
CID 125178160
6-[(4-fluorophenoxy)methyl]-4-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]morpholin-3-one
CID 118790903
(6S)-6-[(4-fluorophenoxy)methyl]-4-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]morpholin-3-one
CID 125179516
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 6-[(4-fluorophenoxy)methyl]-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]morpholin-3-one?
The IUPAC name of 6-[(4-fluorophenoxy)methyl]-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]morpholin-3-one (CID 118773433) is 6-[(4-fluorophenoxy)methyl]-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]morpholin-3-one.
What is the SMILES notation for 6-[(4-fluorophenoxy)methyl]-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]morpholin-3-one?
The canonical SMILES for 6-[(4-fluorophenoxy)methyl]-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]morpholin-3-one is O=C1COC(COc2ccc(F)cc2)CN1C1CCN(Cc2cncnc2)CC1.
What is the InChIKey of 6-[(4-fluorophenoxy)methyl]-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]morpholin-3-one?
The InChIKey is ILQIRFHBIBZLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O3/c22-17-1-3-19(4-2-17)28-13-20-12-26(21(27)14-29-20)18-5-7-25(8-6-18)11-16-9-23-15-24-10-16/h1-4,9-10,15,18,20H,5-8,11-14H2.
What are the key properties of 6-[(4-fluorophenoxy)methyl]-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]morpholin-3-one?
6-[(4-fluorophenoxy)methyl]-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]morpholin-3-one has a molecular weight of 400.45 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenoxy)methyl]-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]morpholin-3-one is sourced from PubChem (CID 118773433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).