1-[3-(2-ethoxyethoxy)piperidin-1-yl]-3-phenylpropan-1-one

C18H27NO3 — CID 46028730

IUPAC1-[3-(2-ethoxyethoxy)piperidin-1-yl]-3-phenylpropan-1-one
SMILESCCOCCOC1CCCN(C(=O)CCc2ccccc2)C1
InChIInChI=1S/C18H27NO3/c1-2-21-13-14-22-17-9-6-12-19(15-17)18(20)11-10-16-7-4-3-5-8-16/h3-5,7-8,17H,2,6,9-15H2,1H3
InChIKeyLGTDDONPOABQEX-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.66
Rot. Bonds8

About 1-[3-(2-ethoxyethoxy)piperidin-1-yl]-3-phenylpropan-1-one

1-[3-(2-ethoxyethoxy)piperidin-1-yl]-3-phenylpropan-1-one (PubChem CID 46028730) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-[3-(2-ethoxyethoxy)piperidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[3-(2-ethoxyethoxy)piperidin-1-yl]-3-phenylpropan-1-one
PubChem CID46028730
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name1-[3-(2-ethoxyethoxy)piperidin-1-yl]-3-phenylpropan-1-one
SMILESCCOCCOC1CCCN(C(=O)CCc2ccccc2)C1
InChIInChI=1S/C18H27NO3/c1-2-21-13-14-22-17-9-6-12-19(15-17)18(20)11-10-16-7-4-3-5-8-16/h3-5,7-8,17H,2,6,9-15H2,1H3
InChIKeyLGTDDONPOABQEX-UHFFFAOYSA-N
XLogP2.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2-phenoxyethoxy)piperidin-1-yl]propan-1-one
CID 42844214
3-(4-methoxyphenyl)-1-(3-phenoxypiperidin-1-yl)propan-1-one
CID 110605422
1-[3-(ethoxymethyl)piperidin-1-yl]-5-phenylpentan-1-one
CID 110416532
[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl] acetate
CID 122691367
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3-phenylpropan-1-one
CID 122260320
1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-3-phenylpropan-1-one
CID 122256256
2-phenylsulfanyl-1-(3-propoxypiperidin-1-yl)ethanone
CID 91786439
1-(3-phenylpropanoyl)piperidine-3-carbaldehyde
CID 82023420
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-(3-propoxypiperidin-1-yl)propan-1-one
CID 70763009
(3S)-N-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxamide
CID 154967020
ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 669998
1-[3-(phenoxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 110638413

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-ethoxyethoxy)piperidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[3-(2-ethoxyethoxy)piperidin-1-yl]-3-phenylpropan-1-one (CID 46028730) is 1-[3-(2-ethoxyethoxy)piperidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[3-(2-ethoxyethoxy)piperidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[3-(2-ethoxyethoxy)piperidin-1-yl]-3-phenylpropan-1-one is CCOCCOC1CCCN(C(=O)CCc2ccccc2)C1.
What is the InChIKey of 1-[3-(2-ethoxyethoxy)piperidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is LGTDDONPOABQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-2-21-13-14-22-17-9-6-12-19(15-17)18(20)11-10-16-7-4-3-5-8-16/h3-5,7-8,17H,2,6,9-15H2,1H3.
What are the key properties of 1-[3-(2-ethoxyethoxy)piperidin-1-yl]-3-phenylpropan-1-one?
1-[3-(2-ethoxyethoxy)piperidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 305.42 g/mol, XLogP of 2.66, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-ethoxyethoxy)piperidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 46028730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).