3-(2,3-dimethoxyphenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one

C16H23NO5 — CID 39445675

IUPAC3-(2,3-dimethoxyphenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one
SMILESCOc1cccc(OCCC(=O)N2CCC(O)CC2)c1OC
InChIInChI=1S/C16H23NO5/c1-20-13-4-3-5-14(16(13)21-2)22-11-8-15(19)17-9-6-12(18)7-10-17/h3-5,12,18H,6-11H2,1-2H3
InChIKeyMIWJAQRZPSMNOR-UHFFFAOYSA-N
MW309.36 g/mol
LogP1.46
Rot. Bonds6

About 3-(2,3-dimethoxyphenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one

3-(2,3-dimethoxyphenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one (PubChem CID 39445675) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is 3-(2,3-dimethoxyphenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(2,3-dimethoxyphenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one
PubChem CID39445675
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Name3-(2,3-dimethoxyphenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one
SMILESCOc1cccc(OCCC(=O)N2CCC(O)CC2)c1OC
InChIInChI=1S/C16H23NO5/c1-20-13-4-3-5-14(16(13)21-2)22-11-8-15(19)17-9-6-12(18)7-10-17/h3-5,12,18H,6-11H2,1-2H3
InChIKeyMIWJAQRZPSMNOR-UHFFFAOYSA-N
XLogP1.46
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dimethoxyphenoxy)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 39404473
3-(2,6-dimethoxyphenoxy)-1-piperazin-1-ylpropan-1-one
CID 39288381
1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(2-methoxyphenoxy)propan-1-one
CID 95758763
3-amino-1-[4-[3-(2-methoxyphenoxy)propanoyl]piperazin-1-yl]propan-1-one
CID 4740257
3-(2-aminophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 94895206
N-cyclopropyl-N-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-2-(2-methoxyphenoxy)acetamide
CID 84561918
3-(2,3-dimethylphenoxy)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 55595949
3-(2-aminophenoxy)-1-(3-hydroxy-4-methylpiperidin-1-yl)propan-1-one
CID 102954849
(3R)-3-[2-(2,3-dimethoxyphenoxy)ethyl]piperazine-1-carboxylic acid
CID 68985329
3-(2-methoxyphenoxy)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one
CID 60601108
1-[(3R)-3-aminopiperidin-1-yl]-3-(2-methoxyphenoxy)propan-1-one
CID 124593466
3-(2-methoxyphenoxy)-1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 124574968

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethoxyphenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(2,3-dimethoxyphenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one (CID 39445675) is 3-(2,3-dimethoxyphenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(2,3-dimethoxyphenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(2,3-dimethoxyphenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one is COc1cccc(OCCC(=O)N2CCC(O)CC2)c1OC.
What is the InChIKey of 3-(2,3-dimethoxyphenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one?
The InChIKey is MIWJAQRZPSMNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5/c1-20-13-4-3-5-14(16(13)21-2)22-11-8-15(19)17-9-6-12(18)7-10-17/h3-5,12,18H,6-11H2,1-2H3.
What are the key properties of 3-(2,3-dimethoxyphenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one?
3-(2,3-dimethoxyphenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one has a molecular weight of 309.36 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxyphenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one is sourced from PubChem (CID 39445675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).