3-(4-fluorophenyl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenylpropan-1-one

C25H31FN2O2 — CID 16673756

IUPAC3-(4-fluorophenyl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenylpropan-1-one
SMILESO=C(C(Cc1ccc(F)cc1)c1ccccc1)N1CCCCC1CN1CCOCC1
InChIInChI=1S/C25H31FN2O2/c26-22-11-9-20(10-12-22)18-24(21-6-2-1-3-7-21)25(29)28-13-5-4-8-23(28)19-27-14-16-30-17-15-27/h1-3,6-7,9-12,23-24H,4-5,8,13-19H2
InChIKeyZXLJAQLFVHEZLL-UHFFFAOYSA-N
MW410.53 g/mol
LogP3.87
Rot. Bonds6

About 3-(4-fluorophenyl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenylpropan-1-one

3-(4-fluorophenyl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenylpropan-1-one (PubChem CID 16673756) has the molecular formula C25H31FN2O2 and a molecular weight of 410.53 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenylpropan-1-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenylpropan-1-one
PubChem CID16673756
Molecular FormulaC25H31FN2O2
Molecular Weight410.53 g/mol
Exact Mass410.24
IUPAC Name3-(4-fluorophenyl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenylpropan-1-one
SMILESO=C(C(Cc1ccc(F)cc1)c1ccccc1)N1CCCCC1CN1CCOCC1
InChIInChI=1S/C25H31FN2O2/c26-22-11-9-20(10-12-22)18-24(21-6-2-1-3-7-21)25(29)28-13-5-4-8-23(28)19-27-14-16-30-17-15-27/h1-3,6-7,9-12,23-24H,4-5,8,13-19H2
InChIKeyZXLJAQLFVHEZLL-UHFFFAOYSA-N
XLogP3.87
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.53
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(morpholin-4-yl)propyl]-2,2-diphenylacetamide
CID 2166461
Desmethylmoramide
CID 206005
(4R,5R)-5-amino-1-[2-(morpholin-4-yl)ethyl]-4-(2,4,5-trifluorophenyl)piperidin-2-one
CID 16203034
(2R,3S)-2-[4-(4-fluorophenyl)phenyl]-N,N,3-trimethyl-4-(morpholin-4-yl)-4-oxobutanamide
CID 23647140
(1S,2S)-1-(dimethylcarbamoyl)-1-[4-(4-fluorophenyl)phenyl]-3-(morpholin-4-yl)-3-oxopropan-2-aminium; 2,2,2-trifluoroacetate
CID 91895780
2-(2-fluorophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 4882745
1-Morpholino-2,2-diphenylethanone
CID 229280
1-[4-[4-[(4-Fluorophenyl)methyl]piperidin-1-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 44389719
1-Morpholin-4-yl-2-phenylpropan-1-one
CID 11031349
2-(4-Fluorophenyl)-1-(morpholin-4-yl)ethan-1-one
CID 798469
4-(4-Biphenylylacetyl)morpholine
CID 2265867
N-(2-morpholin-4-ylethyl)-2-(4-phenylphenyl)acetamide
CID 649839

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenylpropan-1-one?
The IUPAC name of 3-(4-fluorophenyl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenylpropan-1-one (CID 16673756) is 3-(4-fluorophenyl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenylpropan-1-one.
What is the SMILES notation for 3-(4-fluorophenyl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenylpropan-1-one?
The canonical SMILES for 3-(4-fluorophenyl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenylpropan-1-one is O=C(C(Cc1ccc(F)cc1)c1ccccc1)N1CCCCC1CN1CCOCC1.
What is the InChIKey of 3-(4-fluorophenyl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenylpropan-1-one?
The InChIKey is ZXLJAQLFVHEZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN2O2/c26-22-11-9-20(10-12-22)18-24(21-6-2-1-3-7-21)25(29)28-13-5-4-8-23(28)19-27-14-16-30-17-15-27/h1-3,6-7,9-12,23-24H,4-5,8,13-19H2.
What are the key properties of 3-(4-fluorophenyl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenylpropan-1-one?
3-(4-fluorophenyl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenylpropan-1-one has a molecular weight of 410.53 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenylpropan-1-one is sourced from PubChem (CID 16673756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).