3-(2-methylphenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)-3-phenylpropan-1-one

C25H32N2O2 — CID 45209622

IUPAC3-(2-methylphenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)-3-phenylpropan-1-one
SMILESCc1ccccc1C(CC(=O)N1CCC(N2CCOCC2)CC1)c1ccccc1
InChIInChI=1S/C25H32N2O2/c1-20-7-5-6-10-23(20)24(21-8-3-2-4-9-21)19-25(28)27-13-11-22(12-14-27)26-15-17-29-18-16-26/h2-10,22,24H,11-19H2,1H3
InChIKeyHFYSYCFHOODNEL-UHFFFAOYSA-N
MW392.54 g/mol
LogP3.84
Rot. Bonds5

About 3-(2-methylphenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)-3-phenylpropan-1-one

3-(2-methylphenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)-3-phenylpropan-1-one (PubChem CID 45209622) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is 3-(2-methylphenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name3-(2-methylphenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)-3-phenylpropan-1-one
PubChem CID45209622
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name3-(2-methylphenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)-3-phenylpropan-1-one
SMILESCc1ccccc1C(CC(=O)N1CCC(N2CCOCC2)CC1)c1ccccc1
InChIInChI=1S/C25H32N2O2/c1-20-7-5-6-10-23(20)24(21-8-3-2-4-9-21)19-25(28)27-13-11-22(12-14-27)26-15-17-29-18-16-26/h2-10,22,24H,11-19H2,1H3
InChIKeyHFYSYCFHOODNEL-UHFFFAOYSA-N
XLogP3.84
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Dextromoramide
CID 92943
1-((3R)-3-Methyl-4-(4-morpholinyl)-1-oxo-2,2-diphenylbutyl)pyrrolidine
CID 10453145
Racemoramide
CID 9648
N-[3-(morpholin-4-yl)propyl]-2,2-diphenylacetamide
CID 2166461
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-(2-Methylphenyl)-1-morpholin-4-ylethanone
CID 6468639
4-(4-Biphenylylacetyl)morpholine
CID 2265867
(2,2-Diphenylcyclopropyl)(morpholin-4-yl)methanone
CID 661533
4-(2,2-Diphenylpropanoyl)morpholine
CID 889990
1'-[(3-Methylphenyl)acetyl]-4-(4-morpholinylcarbonyl)-1,4'-bipiperidine
CID 16190968

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)-3-phenylpropan-1-one?
The IUPAC name of 3-(2-methylphenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)-3-phenylpropan-1-one (CID 45209622) is 3-(2-methylphenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 3-(2-methylphenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)-3-phenylpropan-1-one?
The canonical SMILES for 3-(2-methylphenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)-3-phenylpropan-1-one is Cc1ccccc1C(CC(=O)N1CCC(N2CCOCC2)CC1)c1ccccc1.
What is the InChIKey of 3-(2-methylphenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)-3-phenylpropan-1-one?
The InChIKey is HFYSYCFHOODNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-20-7-5-6-10-23(20)24(21-8-3-2-4-9-21)19-25(28)27-13-11-22(12-14-27)26-15-17-29-18-16-26/h2-10,22,24H,11-19H2,1H3.
What are the key properties of 3-(2-methylphenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)-3-phenylpropan-1-one?
3-(2-methylphenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)-3-phenylpropan-1-one has a molecular weight of 392.54 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 45209622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).