1-[3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]-2-methylpropan-1-one

C17H25NO3 — CID 42844172

IUPAC1-[3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]-2-methylpropan-1-one
SMILESCOc1cccc(COC2CCCN(C(=O)C(C)C)C2)c1
InChIInChI=1S/C17H25NO3/c1-13(2)17(19)18-9-5-8-16(11-18)21-12-14-6-4-7-15(10-14)20-3/h4,6-7,10,13,16H,5,8-9,11-12H2,1-3H3
InChIKeyQFFHGDLNQZDAFC-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.86
Rot. Bonds5

About 1-[3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]-2-methylpropan-1-one

1-[3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 42844172) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID42844172
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name1-[3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]-2-methylpropan-1-one
SMILESCOc1cccc(COC2CCCN(C(=O)C(C)C)C2)c1
InChIInChI=1S/C17H25NO3/c1-13(2)17(19)18-9-5-8-16(11-18)21-12-14-6-4-7-15(10-14)20-3/h4,6-7,10,13,16H,5,8-9,11-12H2,1-3H3
InChIKeyQFFHGDLNQZDAFC-UHFFFAOYSA-N
XLogP2.86
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl-[3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone
CID 46028918
(2-fluorophenyl)-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone
CID 93223601
(3-bromophenyl)-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone
CID 93223609
2-(4-chlorophenoxy)-1-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]ethanone
CID 93223599
[3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 46028899
[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 46028783
2-phenyl-1-[3-[[3-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]ethanone
CID 42844188
1-[(3S)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one
CID 93223396
(2S)-2-[(3-methoxyphenyl)methoxy]-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 95768673
(2S)-2-[(3-methoxyphenyl)methoxy]-1-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one
CID 95736530
methyl 3-[4-(cyclohexanecarbonyl)-6-[(3-methoxyphenyl)methoxy]-2-oxo-1,4-diazepan-1-yl]propanoate
CID 45163850
3-(3-but-3-ynyldiazirin-3-yl)-1-[3-[(3-methoxyphenyl)methoxy]pyrrolidin-1-yl]propan-1-one
CID 167770913

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]-2-methylpropan-1-one (CID 42844172) is 1-[3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]-2-methylpropan-1-one is COc1cccc(COC2CCCN(C(=O)C(C)C)C2)c1.
What is the InChIKey of 1-[3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is QFFHGDLNQZDAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13(2)17(19)18-9-5-8-16(11-18)21-12-14-6-4-7-15(10-14)20-3/h4,6-7,10,13,16H,5,8-9,11-12H2,1-3H3.
What are the key properties of 1-[3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]-2-methylpropan-1-one?
1-[3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 291.39 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 42844172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).