1-[4-[3-(morpholin-4-ylmethyl)phenoxy]phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone

C28H38N2O3 — CID 160666035

IUPAC1-[4-[3-(morpholin-4-ylmethyl)phenoxy]phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
SMILESCC1(C)CC(CC(=O)c2ccc(Oc3cccc(CN4CCOCC4)c3)cc2)CC(C)(C)N1
InChIInChI=1S/C28H38N2O3/c1-27(2)18-22(19-28(3,4)29-27)17-26(31)23-8-10-24(11-9-23)33-25-7-5-6-21(16-25)20-30-12-14-32-15-13-30/h5-11,16,22,29H,12-15,17-20H2,1-4H3
InChIKeyRMHSMHKVIDVCHK-UHFFFAOYSA-N
MW450.62 g/mol
LogP5.44
Rot. Bonds7

About 1-[4-[3-(morpholin-4-ylmethyl)phenoxy]phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone

1-[4-[3-(morpholin-4-ylmethyl)phenoxy]phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone (PubChem CID 160666035) has the molecular formula C28H38N2O3 and a molecular weight of 450.62 g/mol. Its IUPAC name is 1-[4-[3-(morpholin-4-ylmethyl)phenoxy]phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-[4-[3-(morpholin-4-ylmethyl)phenoxy]phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
PubChem CID160666035
Molecular FormulaC28H38N2O3
Molecular Weight450.62 g/mol
Exact Mass450.29
IUPAC Name1-[4-[3-(morpholin-4-ylmethyl)phenoxy]phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
SMILESCC1(C)CC(CC(=O)c2ccc(Oc3cccc(CN4CCOCC4)c3)cc2)CC(C)(C)N1
InChIInChI=1S/C28H38N2O3/c1-27(2)18-22(19-28(3,4)29-27)17-26(31)23-8-10-24(11-9-23)33-25-7-5-6-21(16-25)20-30-12-14-32-15-13-30/h5-11,16,22,29H,12-15,17-20H2,1-4H3
InChIKeyRMHSMHKVIDVCHK-UHFFFAOYSA-N
XLogP5.44
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.62
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[3-(morpholin-4-ylmethyl)phenoxy]phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone with MolForge

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Related Compounds

1-[4-(2-phenylethyl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
CID 162127881
bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032
1-(4-cyclohexyloxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
CID 160832655
2-[3-(morpholin-4-ylmethyl)phenoxy]acetaldehyde
CID 54183396
1-[4-[(3-pyridin-3-ylphenoxy)methyl]phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
CID 159234890
(2S)-N-ethyl-4-[(3-phenoxyphenyl)methyl]morpholine-2-carboxamide
CID 125486482
N-[4-[3-(pyrrolidin-1-ylmethyl)phenoxy]phenyl]acetamide
CID 56716664
1-benzyl-4-[(3-phenoxyphenyl)methyl]piperazine
CID 1376909
1-[[3-(4-methylphenoxy)phenyl]methyl]pyrrolidine
CID 90725774
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]oxolane-2-carboxamide
CID 51090955
ethyl 3-[3-(morpholin-4-ylmethyl)benzoyl]benzoate
CID 24724678
2-[methyl-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 122042964

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(morpholin-4-ylmethyl)phenoxy]phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone?
The IUPAC name of 1-[4-[3-(morpholin-4-ylmethyl)phenoxy]phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone (CID 160666035) is 1-[4-[3-(morpholin-4-ylmethyl)phenoxy]phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-[4-[3-(morpholin-4-ylmethyl)phenoxy]phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-[4-[3-(morpholin-4-ylmethyl)phenoxy]phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone is CC1(C)CC(CC(=O)c2ccc(Oc3cccc(CN4CCOCC4)c3)cc2)CC(C)(C)N1.
What is the InChIKey of 1-[4-[3-(morpholin-4-ylmethyl)phenoxy]phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone?
The InChIKey is RMHSMHKVIDVCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N2O3/c1-27(2)18-22(19-28(3,4)29-27)17-26(31)23-8-10-24(11-9-23)33-25-7-5-6-21(16-25)20-30-12-14-32-15-13-30/h5-11,16,22,29H,12-15,17-20H2,1-4H3.
What are the key properties of 1-[4-[3-(morpholin-4-ylmethyl)phenoxy]phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone?
1-[4-[3-(morpholin-4-ylmethyl)phenoxy]phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone has a molecular weight of 450.62 g/mol, XLogP of 5.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(morpholin-4-ylmethyl)phenoxy]phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone is sourced from PubChem (CID 160666035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).