2-(2-fluorophenyl)-1-[(3R)-3-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone

C25H29FN2O4 — CID 95097748

IUPAC2-(2-fluorophenyl)-1-[(3R)-3-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1F)N1CCC[C@@H](COc2ccc(C(=O)N3CCOCC3)cc2)C1
InChIInChI=1S/C25H29FN2O4/c26-23-6-2-1-5-21(23)16-24(29)28-11-3-4-19(17-28)18-32-22-9-7-20(8-10-22)25(30)27-12-14-31-15-13-27/h1-2,5-10,19H,3-4,11-18H2/t19-/m1/s1
InChIKeyIEHQHSDSZJBUTL-LJQANCHMSA-N
MW440.52 g/mol
LogP3.16
Rot. Bonds6

About 2-(2-fluorophenyl)-1-[(3R)-3-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone

2-(2-fluorophenyl)-1-[(3R)-3-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone (PubChem CID 95097748) has the molecular formula C25H29FN2O4 and a molecular weight of 440.52 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-[(3R)-3-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-[(3R)-3-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
PubChem CID95097748
Molecular FormulaC25H29FN2O4
Molecular Weight440.52 g/mol
Exact Mass440.21
IUPAC Name2-(2-fluorophenyl)-1-[(3R)-3-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1F)N1CCC[C@@H](COc2ccc(C(=O)N3CCOCC3)cc2)C1
InChIInChI=1S/C25H29FN2O4/c26-23-6-2-1-5-21(23)16-24(29)28-11-3-4-19(17-28)18-32-22-9-7-20(8-10-22)25(30)27-12-14-31-15-13-27/h1-2,5-10,19H,3-4,11-18H2/t19-/m1/s1
InChIKeyIEHQHSDSZJBUTL-LJQANCHMSA-N
XLogP3.16
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-fluorophenyl)-1-[(3R)-3-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

2-(2-fluorophenyl)-1-[3-[[4-(piperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 53150037
2-(2-methylphenyl)-1-[3-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 53150172
[4-[[(3S)-1-(2-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 95097733
1-[(3R)-3-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]propan-1-one
CID 95097768
[4-[[1-(3,5-dimethylbenzoyl)piperidin-3-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 53150155
[4-[[(3R)-1-(2-chloro-6-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 95097554
3-phenyl-1-[(3S)-3-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]propan-1-one
CID 95097651
N-cyclopropyl-3-[[(3R)-1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]methoxy]benzamide
CID 92901011
2-(3-methoxyphenyl)-1-[3-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 53150064
[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110638610
[(3R)-3-[[4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]-phenylmethanone
CID 95097695
3-methyl-1-[3-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]butan-1-one
CID 53150067

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-[(3R)-3-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-[(3R)-3-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone (CID 95097748) is 2-(2-fluorophenyl)-1-[(3R)-3-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-[(3R)-3-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-[(3R)-3-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone is O=C(Cc1ccccc1F)N1CCC[C@@H](COc2ccc(C(=O)N3CCOCC3)cc2)C1.
What is the InChIKey of 2-(2-fluorophenyl)-1-[(3R)-3-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone?
The InChIKey is IEHQHSDSZJBUTL-LJQANCHMSA-N. The full InChI is InChI=1S/C25H29FN2O4/c26-23-6-2-1-5-21(23)16-24(29)28-11-3-4-19(17-28)18-32-22-9-7-20(8-10-22)25(30)27-12-14-31-15-13-27/h1-2,5-10,19H,3-4,11-18H2/t19-/m1/s1.
What are the key properties of 2-(2-fluorophenyl)-1-[(3R)-3-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone?
2-(2-fluorophenyl)-1-[(3R)-3-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone has a molecular weight of 440.52 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-[(3R)-3-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95097748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).