2-(3-methoxyphenoxy)-1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone

C24H31NO4 — CID 102433425

IUPAC2-(3-methoxyphenoxy)-1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone
SMILESCOc1cccc(OC(ON2C(C)(C)CCCC2(C)C)C(=O)c2ccccc2)c1
InChIInChI=1S/C24H31NO4/c1-23(2)15-10-16-24(3,4)25(23)29-22(21(26)18-11-7-6-8-12-18)28-20-14-9-13-19(17-20)27-5/h6-9,11-14,17,22H,10,15-16H2,1-5H3
InChIKeyNAFTVDLBMJSPDH-UHFFFAOYSA-N
MW397.52 g/mol
LogP5.26
Rot. Bonds7

About 2-(3-methoxyphenoxy)-1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone

2-(3-methoxyphenoxy)-1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone (PubChem CID 102433425) has the molecular formula C24H31NO4 and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone
PubChem CID102433425
Molecular FormulaC24H31NO4
Molecular Weight397.52 g/mol
Exact Mass397.23
IUPAC Name2-(3-methoxyphenoxy)-1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone
SMILESCOc1cccc(OC(ON2C(C)(C)CCCC2(C)C)C(=O)c2ccccc2)c1
InChIInChI=1S/C24H31NO4/c1-23(2)15-10-16-24(3,4)25(23)29-22(21(26)18-11-7-6-8-12-18)28-20-14-9-13-19(17-20)27-5/h6-9,11-14,17,22H,10,15-16H2,1-5H3
InChIKeyNAFTVDLBMJSPDH-UHFFFAOYSA-N
XLogP5.26
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-2-phenoxy-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone
CID 73211959
1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutane-1,3-dione
CID 12997351
N-ethyl-3-oxo-3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanamide
CID 122388240
3-methoxy-N-(1-phenylcyclobutyl)benzamide
CID 51273020
1,3-diphenyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-1-one
CID 57081141
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
(2S)-1-(3,3-dimethylpiperidin-1-yl)-2-(3-methoxyphenoxy)butan-1-one
CID 28571684
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-methoxybenzamide
CID 103969532
1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone
CID 71329524
3-(3-methoxyphenyl)-2-(methylamino)-3-oxopropanoic acid
CID 116924251
1-[(3-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43151448
1-[(3-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 55034694

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)-1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone?
The IUPAC name of 2-(3-methoxyphenoxy)-1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone (CID 102433425) is 2-(3-methoxyphenoxy)-1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone.
What is the SMILES notation for 2-(3-methoxyphenoxy)-1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone?
The canonical SMILES for 2-(3-methoxyphenoxy)-1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone is COc1cccc(OC(ON2C(C)(C)CCCC2(C)C)C(=O)c2ccccc2)c1.
What is the InChIKey of 2-(3-methoxyphenoxy)-1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone?
The InChIKey is NAFTVDLBMJSPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO4/c1-23(2)15-10-16-24(3,4)25(23)29-22(21(26)18-11-7-6-8-12-18)28-20-14-9-13-19(17-20)27-5/h6-9,11-14,17,22H,10,15-16H2,1-5H3.
What are the key properties of 2-(3-methoxyphenoxy)-1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone?
2-(3-methoxyphenoxy)-1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone has a molecular weight of 397.52 g/mol, XLogP of 5.26, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone is sourced from PubChem (CID 102433425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).