6-[(4-fluorophenoxy)methyl]-4-[1-(3-methylimidazole-4-carbonyl)piperidin-4-yl]morpholin-3-one

C21H25FN4O4 — CID 146039602

IUPAC6-[(4-fluorophenoxy)methyl]-4-[1-(3-methylimidazole-4-carbonyl)piperidin-4-yl]morpholin-3-one
SMILESCn1cncc1C(=O)N1CCC(N2CC(COc3ccc(F)cc3)OCC2=O)CC1
InChIInChI=1S/C21H25FN4O4/c1-24-14-23-10-19(24)21(28)25-8-6-16(7-9-25)26-11-18(30-13-20(26)27)12-29-17-4-2-15(22)3-5-17/h2-5,10,14,16,18H,6-9,11-13H2,1H3
InChIKeyPJSFHEZQOLJWLV-UHFFFAOYSA-N
MW416.45 g/mol
LogP1.47
Rot. Bonds5

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

6-[(4-fluorophenoxy)methyl]-4-[1-(3-methylimidazole-4-carbonyl)piperidin-4-yl]morpholin-3-one (PubChem CID 146039602) has the molecular formula C21H25FN4O4 and a molecular weight of 416.45 g/mol. Its IUPAC name is 6-[(4-fluorophenoxy)methyl]-4-[1-(3-methylimidazole-4-carbonyl)piperidin-4-yl]morpholin-3-one.

Molecular Properties

Compound Name6-[(4-fluorophenoxy)methyl]-4-[1-(3-methylimidazole-4-carbonyl)piperidin-4-yl]morpholin-3-one
PubChem CID146039602
Molecular FormulaC21H25FN4O4
Molecular Weight416.45 g/mol
Exact Mass416.19
IUPAC Name6-[(4-fluorophenoxy)methyl]-4-[1-(3-methylimidazole-4-carbonyl)piperidin-4-yl]morpholin-3-one
SMILESCn1cncc1C(=O)N1CCC(N2CC(COc3ccc(F)cc3)OCC2=O)CC1
InChIInChI=1S/C21H25FN4O4/c1-24-14-23-10-19(24)21(28)25-8-6-16(7-9-25)26-11-18(30-13-20(26)27)12-29-17-4-2-15(22)3-5-17/h2-5,10,14,16,18H,6-9,11-13H2,1H3
InChIKeyPJSFHEZQOLJWLV-UHFFFAOYSA-N
XLogP1.47
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-(3-aminopropanoyl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one;hydrochloride
CID 154919485
(6R)-4-(1-ethylpiperidin-4-yl)-6-[(4-fluorophenoxy)methyl]morpholin-3-one
CID 125161379
(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
6-[(4-fluorophenoxy)methyl]-4-[1-(4-pyrazol-1-ylbutanoyl)piperidin-4-yl]morpholin-3-one
CID 146045576
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
2-[4-[(2R)-2-[(4-fluorophenoxy)methyl]-5-oxomorpholin-4-yl]piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 125177176
4-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one
CID 118760835
(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
4-[1-[(1,2-dimethylimidazol-4-yl)methyl]piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one
CID 146044661
6-[(4-fluorophenoxy)methyl]-4-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]morpholin-3-one
CID 118791221

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenoxy)methyl]-4-[1-(3-methylimidazole-4-carbonyl)piperidin-4-yl]morpholin-3-one?
The IUPAC name of 6-[(4-fluorophenoxy)methyl]-4-[1-(3-methylimidazole-4-carbonyl)piperidin-4-yl]morpholin-3-one (CID 146039602) is 6-[(4-fluorophenoxy)methyl]-4-[1-(3-methylimidazole-4-carbonyl)piperidin-4-yl]morpholin-3-one.
What is the SMILES notation for 6-[(4-fluorophenoxy)methyl]-4-[1-(3-methylimidazole-4-carbonyl)piperidin-4-yl]morpholin-3-one?
The canonical SMILES for 6-[(4-fluorophenoxy)methyl]-4-[1-(3-methylimidazole-4-carbonyl)piperidin-4-yl]morpholin-3-one is Cn1cncc1C(=O)N1CCC(N2CC(COc3ccc(F)cc3)OCC2=O)CC1.
What is the InChIKey of 6-[(4-fluorophenoxy)methyl]-4-[1-(3-methylimidazole-4-carbonyl)piperidin-4-yl]morpholin-3-one?
The InChIKey is PJSFHEZQOLJWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O4/c1-24-14-23-10-19(24)21(28)25-8-6-16(7-9-25)26-11-18(30-13-20(26)27)12-29-17-4-2-15(22)3-5-17/h2-5,10,14,16,18H,6-9,11-13H2,1H3.
What are the key properties of 6-[(4-fluorophenoxy)methyl]-4-[1-(3-methylimidazole-4-carbonyl)piperidin-4-yl]morpholin-3-one?
6-[(4-fluorophenoxy)methyl]-4-[1-(3-methylimidazole-4-carbonyl)piperidin-4-yl]morpholin-3-one has a molecular weight of 416.45 g/mol, XLogP of 1.47, 5 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-(3-methylimidazole-4-carbonyl)piperidin-4-yl]morpholin-3-one is sourced from PubChem (CID 146039602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).