6-[(4-fluorophenoxy)methyl]-4-[1-(4-pyrazol-1-ylbutanoyl)piperidin-4-yl]morpholin-3-one

C23H29FN4O4 — CID 146045576

IUPAC6-[(4-fluorophenoxy)methyl]-4-[1-(4-pyrazol-1-ylbutanoyl)piperidin-4-yl]morpholin-3-one
SMILESO=C(CCCn1cccn1)N1CCC(N2CC(COc3ccc(F)cc3)OCC2=O)CC1
InChIInChI=1S/C23H29FN4O4/c24-18-4-6-20(7-5-18)31-16-21-15-28(23(30)17-32-21)19-8-13-26(14-9-19)22(29)3-1-11-27-12-2-10-25-27/h2,4-7,10,12,19,21H,1,3,8-9,11,13-17H2
InChIKeyFORRLOBOZYQOFO-UHFFFAOYSA-N
MW444.51 g/mol
LogP2.10
Rot. Bonds8

About 6-[(4-fluorophenoxy)methyl]-4-[1-(4-pyrazol-1-ylbutanoyl)piperidin-4-yl]morpholin-3-one

6-[(4-fluorophenoxy)methyl]-4-[1-(4-pyrazol-1-ylbutanoyl)piperidin-4-yl]morpholin-3-one (PubChem CID 146045576) has the molecular formula C23H29FN4O4 and a molecular weight of 444.51 g/mol. Its IUPAC name is 6-[(4-fluorophenoxy)methyl]-4-[1-(4-pyrazol-1-ylbutanoyl)piperidin-4-yl]morpholin-3-one.

Molecular Properties

Compound Name6-[(4-fluorophenoxy)methyl]-4-[1-(4-pyrazol-1-ylbutanoyl)piperidin-4-yl]morpholin-3-one
PubChem CID146045576
Molecular FormulaC23H29FN4O4
Molecular Weight444.51 g/mol
Exact Mass444.22
IUPAC Name6-[(4-fluorophenoxy)methyl]-4-[1-(4-pyrazol-1-ylbutanoyl)piperidin-4-yl]morpholin-3-one
SMILESO=C(CCCn1cccn1)N1CCC(N2CC(COc3ccc(F)cc3)OCC2=O)CC1
InChIInChI=1S/C23H29FN4O4/c24-18-4-6-20(7-5-18)31-16-21-15-28(23(30)17-32-21)19-8-13-26(14-9-19)22(29)3-1-11-27-12-2-10-25-27/h2,4-7,10,12,19,21H,1,3,8-9,11,13-17H2
InChIKeyFORRLOBOZYQOFO-UHFFFAOYSA-N
XLogP2.10
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[(4-fluorophenoxy)methyl]-4-[1-(4-pyrazol-1-ylbutanoyl)piperidin-4-yl]morpholin-3-one with MolForge

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Related Compounds

(6S)-6-[(4-fluorophenoxy)methyl]-4-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]morpholin-3-one
CID 125175144
4-[1-(3-aminopropanoyl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one;hydrochloride
CID 154919485
6-[(4-fluorophenoxy)methyl]-4-[1-(3-methylimidazole-4-carbonyl)piperidin-4-yl]morpholin-3-one
CID 146039602
(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
formic acid;methyl 4-[4-[2-[(4-fluorophenoxy)methyl]-5-oxomorpholin-4-yl]piperidin-1-yl]butanoate
CID 154922503
(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-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one
CID 118768001
6-[(4-fluorophenoxy)methyl]-4-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]morpholin-3-one
CID 118791221
6-[(4-fluorophenoxy)methyl]-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]morpholin-3-one
CID 118773433
2-[4-[(2R)-2-[(4-fluorophenoxy)methyl]-5-oxomorpholin-4-yl]piperidin-1-yl]-N-methylacetamide
CID 125156221
(6S)-4-[1-(cyclobutylmethyl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one
CID 125178160

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenoxy)methyl]-4-[1-(4-pyrazol-1-ylbutanoyl)piperidin-4-yl]morpholin-3-one?
The IUPAC name of 6-[(4-fluorophenoxy)methyl]-4-[1-(4-pyrazol-1-ylbutanoyl)piperidin-4-yl]morpholin-3-one (CID 146045576) is 6-[(4-fluorophenoxy)methyl]-4-[1-(4-pyrazol-1-ylbutanoyl)piperidin-4-yl]morpholin-3-one.
What is the SMILES notation for 6-[(4-fluorophenoxy)methyl]-4-[1-(4-pyrazol-1-ylbutanoyl)piperidin-4-yl]morpholin-3-one?
The canonical SMILES for 6-[(4-fluorophenoxy)methyl]-4-[1-(4-pyrazol-1-ylbutanoyl)piperidin-4-yl]morpholin-3-one is O=C(CCCn1cccn1)N1CCC(N2CC(COc3ccc(F)cc3)OCC2=O)CC1.
What is the InChIKey of 6-[(4-fluorophenoxy)methyl]-4-[1-(4-pyrazol-1-ylbutanoyl)piperidin-4-yl]morpholin-3-one?
The InChIKey is FORRLOBOZYQOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O4/c24-18-4-6-20(7-5-18)31-16-21-15-28(23(30)17-32-21)19-8-13-26(14-9-19)22(29)3-1-11-27-12-2-10-25-27/h2,4-7,10,12,19,21H,1,3,8-9,11,13-17H2.
What are the key properties of 6-[(4-fluorophenoxy)methyl]-4-[1-(4-pyrazol-1-ylbutanoyl)piperidin-4-yl]morpholin-3-one?
6-[(4-fluorophenoxy)methyl]-4-[1-(4-pyrazol-1-ylbutanoyl)piperidin-4-yl]morpholin-3-one has a molecular weight of 444.51 g/mol, XLogP of 2.10, 8 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-(4-pyrazol-1-ylbutanoyl)piperidin-4-yl]morpholin-3-one is sourced from PubChem (CID 146045576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).