1-[3-(2-phenoxyethoxy)piperidin-1-yl]propan-1-one

C16H23NO3 — CID 42844214

IUPAC1-[3-(2-phenoxyethoxy)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC(OCCOc2ccccc2)C1
InChIInChI=1S/C16H23NO3/c1-2-16(18)17-10-6-9-15(13-17)20-12-11-19-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3
InChIKeyCZPAFGQYVCWEPJ-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.48
Rot. Bonds6

About 1-[3-(2-phenoxyethoxy)piperidin-1-yl]propan-1-one

1-[3-(2-phenoxyethoxy)piperidin-1-yl]propan-1-one (PubChem CID 42844214) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-[3-(2-phenoxyethoxy)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-(2-phenoxyethoxy)piperidin-1-yl]propan-1-one
PubChem CID42844214
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name1-[3-(2-phenoxyethoxy)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC(OCCOc2ccccc2)C1
InChIInChI=1S/C16H23NO3/c1-2-16(18)17-10-6-9-15(13-17)20-12-11-19-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3
InChIKeyCZPAFGQYVCWEPJ-UHFFFAOYSA-N
XLogP2.48
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.48
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-[4-(2-phenoxyethoxy)piperidin-1-yl]ethanone
CID 91918409
2-phenylsulfanyl-1-(3-propoxypiperidin-1-yl)ethanone
CID 91786439
1-[(3S)-3-[(2-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one
CID 93223488
3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 110817115
1-[3-(2-ethoxyethoxy)piperidin-1-yl]-3-phenylpropan-1-one
CID 46028730
1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone
CID 40543103
1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenoxyethanone
CID 91918267
1-[(3S)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one
CID 93223396
3-[1-(2-phenoxyacetyl)piperidin-3-yl]-8-propanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110247372
3-[(3R)-1-(2-phenoxyacetyl)piperidin-3-yl]-8-propanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 92620594
1-[4-(3-phenoxypyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 118782186
1-[4-[(3R)-3-phenoxypyrrolidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 126441920

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-phenoxyethoxy)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-(2-phenoxyethoxy)piperidin-1-yl]propan-1-one (CID 42844214) is 1-[3-(2-phenoxyethoxy)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-(2-phenoxyethoxy)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-(2-phenoxyethoxy)piperidin-1-yl]propan-1-one is CCC(=O)N1CCCC(OCCOc2ccccc2)C1.
What is the InChIKey of 1-[3-(2-phenoxyethoxy)piperidin-1-yl]propan-1-one?
The InChIKey is CZPAFGQYVCWEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-16(18)17-10-6-9-15(13-17)20-12-11-19-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3.
What are the key properties of 1-[3-(2-phenoxyethoxy)piperidin-1-yl]propan-1-one?
1-[3-(2-phenoxyethoxy)piperidin-1-yl]propan-1-one has a molecular weight of 277.36 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-phenoxyethoxy)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 42844214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).