3-methoxy-1-[4-(2-phenoxyethyl)piperidin-1-yl]propan-1-one

C17H25NO3 — CID 53150681

IUPAC3-methoxy-1-[4-(2-phenoxyethyl)piperidin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCC(CCOc2ccccc2)CC1
InChIInChI=1S/C17H25NO3/c1-20-13-10-17(19)18-11-7-15(8-12-18)9-14-21-16-5-3-2-4-6-16/h2-6,15H,7-14H2,1H3
InChIKeyVPLAYLVRZAOROU-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.73
Rot. Bonds7

About 3-methoxy-1-[4-(2-phenoxyethyl)piperidin-1-yl]propan-1-one

3-methoxy-1-[4-(2-phenoxyethyl)piperidin-1-yl]propan-1-one (PubChem CID 53150681) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-methoxy-1-[4-(2-phenoxyethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-[4-(2-phenoxyethyl)piperidin-1-yl]propan-1-one
PubChem CID53150681
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name3-methoxy-1-[4-(2-phenoxyethyl)piperidin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCC(CCOc2ccccc2)CC1
InChIInChI=1S/C17H25NO3/c1-20-13-10-17(19)18-11-7-15(8-12-18)9-14-21-16-5-3-2-4-6-16/h2-6,15H,7-14H2,1H3
InChIKeyVPLAYLVRZAOROU-UHFFFAOYSA-N
XLogP2.73
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-phenoxyethyl)piperidin-1-yl]ethanone
CID 53150715
N-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-phenoxybutanamide
CID 108553641
tert-butyl 4-(2-phenoxyethyl)piperidine-1-carboxylate
CID 58808100
1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-3-phenoxypropan-1-one
CID 49095993
(2-methoxyphenyl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
CID 53037966
3-cyclohexyl-1-[4-(3-phenoxypropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 108547506
1-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]butan-1-one
CID 53150958
1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenoxyethyl)piperidine;2-(2-methoxyphenyl)-1-[4-(2-phenoxyethyl)piperidin-1-yl]ethanone
CID 162167070
1-[(3R)-3-aminopyrrolidin-1-yl]-3-phenoxypropan-1-one;hydrochloride
CID 119410911
1-(3-phenoxypropanoyl)piperidine-4-carbonitrile
CID 39359717
3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 110817115
methyl 1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylate
CID 84581076

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[4-(2-phenoxyethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-methoxy-1-[4-(2-phenoxyethyl)piperidin-1-yl]propan-1-one (CID 53150681) is 3-methoxy-1-[4-(2-phenoxyethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-methoxy-1-[4-(2-phenoxyethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-methoxy-1-[4-(2-phenoxyethyl)piperidin-1-yl]propan-1-one is COCCC(=O)N1CCC(CCOc2ccccc2)CC1.
What is the InChIKey of 3-methoxy-1-[4-(2-phenoxyethyl)piperidin-1-yl]propan-1-one?
The InChIKey is VPLAYLVRZAOROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-20-13-10-17(19)18-11-7-15(8-12-18)9-14-21-16-5-3-2-4-6-16/h2-6,15H,7-14H2,1H3.
What are the key properties of 3-methoxy-1-[4-(2-phenoxyethyl)piperidin-1-yl]propan-1-one?
3-methoxy-1-[4-(2-phenoxyethyl)piperidin-1-yl]propan-1-one has a molecular weight of 291.39 g/mol, XLogP of 2.73, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[4-(2-phenoxyethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 53150681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).