1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenoxyethanone

C16H23NO4 — CID 91918267

IUPAC1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenoxyethanone
SMILESCOCCOC1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C16H23NO4/c1-19-11-12-20-15-7-9-17(10-8-15)16(18)13-21-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3
InChIKeyRWESBDPWRMKBSL-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.72
Rot. Bonds7

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

1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenoxyethanone (PubChem CID 91918267) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenoxyethanone
PubChem CID91918267
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenoxyethanone
SMILESCOCCOC1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C16H23NO4/c1-19-11-12-20-15-7-9-17(10-8-15)16(18)13-21-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3
InChIKeyRWESBDPWRMKBSL-UHFFFAOYSA-N
XLogP1.72
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxypyrrolidin-1-yl)-2-phenoxyethanone
CID 108730501
1-[4-(2-phenoxyethoxy)piperidin-1-yl]ethanone
CID 91918409
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
2-(2-methoxyethoxy)-1-[4-(2-phenoxyacetyl)-1,4-diazepan-1-yl]ethanone
CID 108547727
N-(3-methoxypropyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 113003301
1-[4-(2-aminoethoxy)piperidin-1-yl]-3-phenoxypropan-1-one
CID 82688164
2-(4-iodophenoxy)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 55461347
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-methylphenoxy)ethanone
CID 119663615
1-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
CID 55630806
1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxyethanone;hydrochloride
CID 119517204
1-[4-(4-methylanilino)piperidin-1-yl]-2-phenoxyethanone
CID 3973578
1-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid
CID 119166473

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenoxyethanone (CID 91918267) is 1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenoxyethanone is COCCOC1CCN(C(=O)COc2ccccc2)CC1.
What is the InChIKey of 1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenoxyethanone?
The InChIKey is RWESBDPWRMKBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-19-11-12-20-15-7-9-17(10-8-15)16(18)13-21-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3.
What are the key properties of 1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenoxyethanone?
1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenoxyethanone has a molecular weight of 293.36 g/mol, XLogP of 1.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 91918267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).