2-methoxy-1-[4-(3-methylphenoxy)piperidin-1-yl]ethanone

C15H21NO3 — CID 70746806

IUPAC2-methoxy-1-[4-(3-methylphenoxy)piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(Oc2cccc(C)c2)CC1
InChIInChI=1S/C15H21NO3/c1-12-4-3-5-14(10-12)19-13-6-8-16(9-7-13)15(17)11-18-2/h3-5,10,13H,6-9,11H2,1-2H3
InChIKeyPYEFWMNTGXZCLB-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.01
Rot. Bonds4

About 2-methoxy-1-[4-(3-methylphenoxy)piperidin-1-yl]ethanone

2-methoxy-1-[4-(3-methylphenoxy)piperidin-1-yl]ethanone (PubChem CID 70746806) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-methoxy-1-[4-(3-methylphenoxy)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-(3-methylphenoxy)piperidin-1-yl]ethanone
PubChem CID70746806
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-methoxy-1-[4-(3-methylphenoxy)piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(Oc2cccc(C)c2)CC1
InChIInChI=1S/C15H21NO3/c1-12-4-3-5-14(10-12)19-13-6-8-16(9-7-13)15(17)11-18-2/h3-5,10,13H,6-9,11H2,1-2H3
InChIKeyPYEFWMNTGXZCLB-UHFFFAOYSA-N
XLogP2.01
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[2-[4-(3-methylphenoxy)piperidin-1-yl]-2-oxoethyl]carbamate
CID 70757574
2-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70724680
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[4-(3-methylphenoxy)piperidin-1-yl]ethanone
CID 70735971
1-[4-(3-methylphenoxy)piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 70707041
2-(3-methylphenoxy)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90617132
2-methoxy-1-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95822508
(3R)-3-imidazol-1-yl-1-[4-(3-methylphenoxy)piperidin-1-yl]butan-1-one
CID 96572175
3-imidazol-1-yl-1-[4-(3-methylphenoxy)piperidin-1-yl]butan-1-one
CID 70711948
1-[2-(3-methylphenoxy)acetyl]piperidine-4-carboxylate
CID 9156848
[4-(3-methylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95811353
(1S,6R)-3-[2-[4-(3-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 72891344
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-methylphenoxy)ethanone
CID 119663615

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-(3-methylphenoxy)piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-(3-methylphenoxy)piperidin-1-yl]ethanone (CID 70746806) is 2-methoxy-1-[4-(3-methylphenoxy)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-(3-methylphenoxy)piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-(3-methylphenoxy)piperidin-1-yl]ethanone is COCC(=O)N1CCC(Oc2cccc(C)c2)CC1.
What is the InChIKey of 2-methoxy-1-[4-(3-methylphenoxy)piperidin-1-yl]ethanone?
The InChIKey is PYEFWMNTGXZCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-12-4-3-5-14(10-12)19-13-6-8-16(9-7-13)15(17)11-18-2/h3-5,10,13H,6-9,11H2,1-2H3.
What are the key properties of 2-methoxy-1-[4-(3-methylphenoxy)piperidin-1-yl]ethanone?
2-methoxy-1-[4-(3-methylphenoxy)piperidin-1-yl]ethanone has a molecular weight of 263.34 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-(3-methylphenoxy)piperidin-1-yl]ethanone is sourced from PubChem (CID 70746806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).