2-methoxy-1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenylethanone

C17H25NO4 — CID 90653649

IUPAC2-methoxy-1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenylethanone
SMILESCOCCOC1CCN(C(=O)C(OC)c2ccccc2)CC1
InChIInChI=1S/C17H25NO4/c1-20-12-13-22-15-8-10-18(11-9-15)17(19)16(21-2)14-6-4-3-5-7-14/h3-7,15-16H,8-13H2,1-2H3
InChIKeyFIGLGFCOEVPNJI-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.03
Rot. Bonds7

About 2-methoxy-1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenylethanone

2-methoxy-1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenylethanone (PubChem CID 90653649) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-methoxy-1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenylethanone
PubChem CID90653649
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name2-methoxy-1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenylethanone
SMILESCOCCOC1CCN(C(=O)C(OC)c2ccccc2)CC1
InChIInChI=1S/C17H25NO4/c1-20-12-13-22-15-8-10-18(11-9-15)17(19)16(21-2)14-6-4-3-5-7-14/h3-7,15-16H,8-13H2,1-2H3
InChIKeyFIGLGFCOEVPNJI-UHFFFAOYSA-N
XLogP2.03
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methoxy-1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-2-phenyl-1-piperidin-1-ylethanone
CID 60775756
1-(3-hydroxypyrrolidin-1-yl)-2-methoxy-2-phenylethanone
CID 62918304
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methoxy-2-phenylethanone
CID 66291678
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methoxy-2-phenylethanone
CID 79030711
(2S)-3-hydroxy-1-[4-(methoxymethoxy)piperidin-1-yl]-2-phenylpropan-1-one
CID 70065546
N-[1-[(2R)-2-methoxy-2-phenylacetyl]piperidin-4-yl]methanesulfonamide
CID 94872067
1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-phenylethanone;hydrochloride
CID 119413072
methyl 1-(2-methoxy-2-phenylacetyl)pyrrolidine-3-carboxylate
CID 112733867
1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenoxyethanone
CID 91918267
(2R)-2-methoxy-1-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone
CID 95615873
(2S)-1-[(3S,4S)-4-tert-butyl-3-hydroxypiperidin-1-yl]-2-methoxy-2-phenylethanone
CID 98856814
1-[4-(3-aminopropoxy)piperidin-1-yl]-2,2-diphenylethanone
CID 119663605

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenylethanone?
The IUPAC name of 2-methoxy-1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenylethanone (CID 90653649) is 2-methoxy-1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 2-methoxy-1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 2-methoxy-1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenylethanone is COCCOC1CCN(C(=O)C(OC)c2ccccc2)CC1.
What is the InChIKey of 2-methoxy-1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenylethanone?
The InChIKey is FIGLGFCOEVPNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-20-12-13-22-15-8-10-18(11-9-15)17(19)16(21-2)14-6-4-3-5-7-14/h3-7,15-16H,8-13H2,1-2H3.
What are the key properties of 2-methoxy-1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenylethanone?
2-methoxy-1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenylethanone has a molecular weight of 307.39 g/mol, XLogP of 2.03, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 90653649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).