2-[4-[(2R)-2-[(4-fluorophenoxy)methyl]-5-oxomorpholin-4-yl]piperidin-1-yl]-N-methylacetamide

C19H26FN3O4 — CID 125156221

IUPAC2-[4-[(2R)-2-[(4-fluorophenoxy)methyl]-5-oxomorpholin-4-yl]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1
InChIInChI=1S/C19H26FN3O4/c1-21-18(24)11-22-8-6-15(7-9-22)23-10-17(27-13-19(23)25)12-26-16-4-2-14(20)3-5-16/h2-5,15,17H,6-13H2,1H3,(H,21,24)/t17-/m1/s1
InChIKeyIJGXVAWZQHUITR-QGZVFWFLSA-N
MW379.43 g/mol
LogP0.64
Rot. Bonds6

About 2-[4-[(2R)-2-[(4-fluorophenoxy)methyl]-5-oxomorpholin-4-yl]piperidin-1-yl]-N-methylacetamide

2-[4-[(2R)-2-[(4-fluorophenoxy)methyl]-5-oxomorpholin-4-yl]piperidin-1-yl]-N-methylacetamide (PubChem CID 125156221) has the molecular formula C19H26FN3O4 and a molecular weight of 379.43 g/mol. Its IUPAC name is 2-[4-[(2R)-2-[(4-fluorophenoxy)methyl]-5-oxomorpholin-4-yl]piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(2R)-2-[(4-fluorophenoxy)methyl]-5-oxomorpholin-4-yl]piperidin-1-yl]-N-methylacetamide
PubChem CID125156221
Molecular FormulaC19H26FN3O4
Molecular Weight379.43 g/mol
Exact Mass379.19
IUPAC Name2-[4-[(2R)-2-[(4-fluorophenoxy)methyl]-5-oxomorpholin-4-yl]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1
InChIInChI=1S/C19H26FN3O4/c1-21-18(24)11-22-8-6-15(7-9-22)23-10-17(27-13-19(23)25)12-26-16-4-2-14(20)3-5-16/h2-5,15,17H,6-13H2,1H3,(H,21,24)/t17-/m1/s1
InChIKeyIJGXVAWZQHUITR-QGZVFWFLSA-N
XLogP0.64
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2R)-2-[(4-fluorophenoxy)methyl]-5-oxomorpholin-4-yl]piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 125177176
(6R)-4-(1-ethylpiperidin-4-yl)-6-[(4-fluorophenoxy)methyl]morpholin-3-one
CID 125161379
(6S)-4-[1-(cyclobutylmethyl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one
CID 125178160
formic acid;methyl 4-[4-[2-[(4-fluorophenoxy)methyl]-5-oxomorpholin-4-yl]piperidin-1-yl]butanoate
CID 154922503
6-[(4-fluorophenoxy)methyl]-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]morpholin-3-one
CID 118773433
(6R)-6-[(4-fluorophenoxy)methyl]-4-[1-[2-(1,2,4-triazol-4-yl)ethyl]piperidin-4-yl]morpholin-3-one
CID 125159849
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
(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
(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
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 2-[4-[(2R)-2-[(4-fluorophenoxy)methyl]-5-oxomorpholin-4-yl]piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[(2R)-2-[(4-fluorophenoxy)methyl]-5-oxomorpholin-4-yl]piperidin-1-yl]-N-methylacetamide (CID 125156221) is 2-[4-[(2R)-2-[(4-fluorophenoxy)methyl]-5-oxomorpholin-4-yl]piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(2R)-2-[(4-fluorophenoxy)methyl]-5-oxomorpholin-4-yl]piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[(2R)-2-[(4-fluorophenoxy)methyl]-5-oxomorpholin-4-yl]piperidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1.
What is the InChIKey of 2-[4-[(2R)-2-[(4-fluorophenoxy)methyl]-5-oxomorpholin-4-yl]piperidin-1-yl]-N-methylacetamide?
The InChIKey is IJGXVAWZQHUITR-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H26FN3O4/c1-21-18(24)11-22-8-6-15(7-9-22)23-10-17(27-13-19(23)25)12-26-16-4-2-14(20)3-5-16/h2-5,15,17H,6-13H2,1H3,(H,21,24)/t17-/m1/s1.
What are the key properties of 2-[4-[(2R)-2-[(4-fluorophenoxy)methyl]-5-oxomorpholin-4-yl]piperidin-1-yl]-N-methylacetamide?
2-[4-[(2R)-2-[(4-fluorophenoxy)methyl]-5-oxomorpholin-4-yl]piperidin-1-yl]-N-methylacetamide has a molecular weight of 379.43 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2R)-2-[(4-fluorophenoxy)methyl]-5-oxomorpholin-4-yl]piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 125156221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).