1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone

C14H19NO2 — CID 40543103

IUPAC1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone
SMILESC[C@@H]1CCCN(C(=O)COc2ccccc2)C1
InChIInChI=1S/C14H19NO2/c1-12-6-5-9-15(10-12)14(16)11-17-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3/t12-/m1/s1
InChIKeyADEMQGDTKYROSC-GFCCVEGCSA-N
MW233.31 g/mol
LogP2.32
Rot. Bonds3

About 1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone

1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone (PubChem CID 40543103) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone
PubChem CID40543103
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone
SMILESC[C@@H]1CCCN(C(=O)COc2ccccc2)C1
InChIInChI=1S/C14H19NO2/c1-12-6-5-9-15(10-12)14(16)11-17-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3/t12-/m1/s1
InChIKeyADEMQGDTKYROSC-GFCCVEGCSA-N
XLogP2.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-aminophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 28689718
2-(4-fluorophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 829809
2-[3-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]acetic acid
CID 61398074
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-phenoxyethanone
CID 670243
1-(3-aminopiperidin-1-yl)-2-phenoxyethanone;hydrochloride
CID 119377679
methyl 4-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]benzoate
CID 60624261
1-[3-(bromomethyl)piperidin-1-yl]-2-phenoxyethanone
CID 80661274
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
CID 8925634
2-[3-(methylaminomethyl)phenoxy]-1-(3-methylpiperidin-1-yl)ethanone
CID 106485942
2-phenoxy-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 63241143
2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethoxy]benzamide
CID 7283918
1-(3-methoxypyrrolidin-1-yl)-2-phenoxyethanone
CID 108730501

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone (CID 40543103) is 1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone is C[C@@H]1CCCN(C(=O)COc2ccccc2)C1.
What is the InChIKey of 1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone?
The InChIKey is ADEMQGDTKYROSC-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19NO2/c1-12-6-5-9-15(10-12)14(16)11-17-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3/t12-/m1/s1.
What are the key properties of 1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone?
1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone has a molecular weight of 233.31 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 40543103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).