1-[4-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-2-(2-phenylphenoxy)ethanone

C28H31NO3 — CID 140911765

IUPAC1-[4-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-2-(2-phenylphenoxy)ethanone
SMILESCOc1cccc(CCC2CCN(C(=O)COc3ccccc3-c3ccccc3)CC2)c1
InChIInChI=1S/C28H31NO3/c1-31-25-11-7-8-23(20-25)15-14-22-16-18-29(19-17-22)28(30)21-32-27-13-6-5-12-26(27)24-9-3-2-4-10-24/h2-13,20,22H,14-19,21H2,1H3
InChIKeyKXTYEUBEHPFLJL-UHFFFAOYSA-N
MW429.56 g/mol
LogP5.61
Rot. Bonds8

About 1-[4-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-2-(2-phenylphenoxy)ethanone

1-[4-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-2-(2-phenylphenoxy)ethanone (PubChem CID 140911765) has the molecular formula C28H31NO3 and a molecular weight of 429.56 g/mol. Its IUPAC name is 1-[4-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-2-(2-phenylphenoxy)ethanone.

Molecular Properties

Compound Name1-[4-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-2-(2-phenylphenoxy)ethanone
PubChem CID140911765
Molecular FormulaC28H31NO3
Molecular Weight429.56 g/mol
Exact Mass429.23
IUPAC Name1-[4-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-2-(2-phenylphenoxy)ethanone
SMILESCOc1cccc(CCC2CCN(C(=O)COc3ccccc3-c3ccccc3)CC2)c1
InChIInChI=1S/C28H31NO3/c1-31-25-11-7-8-23(20-25)15-14-22-16-18-29(19-17-22)28(30)21-32-27-13-6-5-12-26(27)24-9-3-2-4-10-24/h2-13,20,22H,14-19,21H2,1H3
InChIKeyKXTYEUBEHPFLJL-UHFFFAOYSA-N
XLogP5.61
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.56
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-2-(2-phenylphenoxy)ethanone 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

1-[4-[2-[3-(hydroxymethyl)phenyl]ethyl]piperidin-1-yl]-2-(2-phenylphenoxy)ethanone
CID 140911747
4-[2-[1-[2-(2-phenylphenoxy)acetyl]piperidin-4-yl]ethyl]benzoic acid
CID 140911738
1-[4-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-2-(2-phenylphenoxy)ethanone
CID 140911761
2-[2-(4-fluoro-2-hydroxyphenyl)-4-(trifluoromethyl)phenoxy]-1-[4-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]ethanone
CID 146199233
1-[4-[2-(1,3-benzodioxol-5-yl)ethyl]piperidin-1-yl]-2-[2-(3-phenylmethoxyphenyl)phenoxy]ethanone
CID 140911670
2-[2-(5-isocyano-2-phenylmethoxyphenyl)phenoxy]-1-[4-[2-(3-propan-2-yloxyphenyl)ethyl]piperidin-1-yl]ethanone
CID 140911892
3-hydroxy-4-[2-[2-oxo-2-[4-[2-(3-propan-2-yloxyphenyl)ethyl]piperidin-1-yl]ethoxy]phenyl]benzonitrile
CID 140911857
1-[4-[2-(1,3-benzodioxol-5-yl)ethyl]piperidin-1-yl]-2-[2-[3-(trifluoromethoxy)phenyl]phenoxy]ethanone
CID 140911687
2-[2-(4-fluoro-2-hydroxyphenyl)phenoxy]-1-[4-[2-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethyl]piperidin-1-yl]ethanone
CID 140911733
1-[4-[2-(1,3-benzodioxol-5-yl)ethyl]piperidin-1-yl]-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)phenoxy]ethanone
CID 140911943
5-[2-[2-[4-[2-(1,3-benzodioxol-5-yl)ethyl]piperidin-1-yl]-2-oxoethoxy]phenyl]pyridine-3-carboxylic acid
CID 140911842
1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 127120206

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-2-(2-phenylphenoxy)ethanone?
The IUPAC name of 1-[4-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-2-(2-phenylphenoxy)ethanone (CID 140911765) is 1-[4-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-2-(2-phenylphenoxy)ethanone.
What is the SMILES notation for 1-[4-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-2-(2-phenylphenoxy)ethanone?
The canonical SMILES for 1-[4-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-2-(2-phenylphenoxy)ethanone is COc1cccc(CCC2CCN(C(=O)COc3ccccc3-c3ccccc3)CC2)c1.
What is the InChIKey of 1-[4-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-2-(2-phenylphenoxy)ethanone?
The InChIKey is KXTYEUBEHPFLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31NO3/c1-31-25-11-7-8-23(20-25)15-14-22-16-18-29(19-17-22)28(30)21-32-27-13-6-5-12-26(27)24-9-3-2-4-10-24/h2-13,20,22H,14-19,21H2,1H3.
What are the key properties of 1-[4-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-2-(2-phenylphenoxy)ethanone?
1-[4-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-2-(2-phenylphenoxy)ethanone has a molecular weight of 429.56 g/mol, XLogP of 5.61, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-2-(2-phenylphenoxy)ethanone is sourced from PubChem (CID 140911765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).