1-(3-methoxy-4-phenylmethoxyphenyl)piperidin-2-one

C19H21NO3 — CID 86198598

IUPAC1-(3-methoxy-4-phenylmethoxyphenyl)piperidin-2-one
SMILESCOc1cc(N2CCCCC2=O)ccc1OCc1ccccc1
InChIInChI=1S/C19H21NO3/c1-22-18-13-16(20-12-6-5-9-19(20)21)10-11-17(18)23-14-15-7-3-2-4-8-15/h2-4,7-8,10-11,13H,5-6,9,12,14H2,1H3
InChIKeyMCSGWTATRVBZGA-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.79
Rot. Bonds5

About 1-(3-methoxy-4-phenylmethoxyphenyl)piperidin-2-one

1-(3-methoxy-4-phenylmethoxyphenyl)piperidin-2-one (PubChem CID 86198598) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-(3-methoxy-4-phenylmethoxyphenyl)piperidin-2-one.

Molecular Properties

Compound Name1-(3-methoxy-4-phenylmethoxyphenyl)piperidin-2-one
PubChem CID86198598
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name1-(3-methoxy-4-phenylmethoxyphenyl)piperidin-2-one
SMILESCOc1cc(N2CCCCC2=O)ccc1OCc1ccccc1
InChIInChI=1S/C19H21NO3/c1-22-18-13-16(20-12-6-5-9-19(20)21)10-11-17(18)23-14-15-7-3-2-4-8-15/h2-4,7-8,10-11,13H,5-6,9,12,14H2,1H3
InChIKeyMCSGWTATRVBZGA-UHFFFAOYSA-N
XLogP3.79
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-methoxy-4-phenylmethoxyphenyl)piperidin-2-one 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-(3-methoxy-4-phenylmethoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 71313895
1-(3-fluoro-4-methoxyphenyl)piperidin-2-one
CID 142754617
1-(4-methoxy-3-phenylmethoxyphenyl)-4-methyl-1,3-diazinan-2-one
CID 155170009
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine;oxalic acid
CID 23724207
3-(4-benzylphenyl)-1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazolidine-2,4-dione
CID 71218001
azepan-1-yl-(3-methoxy-4-phenylmethoxyphenyl)methanethione
CID 7369964
1-(3-methyl-4-phenylmethoxyphenyl)-1,3-diazinan-2-one
CID 68524434
3-methoxy-4-phenylmethoxyaniline
CID 27226
1-[3-(methoxymethyl)phenyl]pyrrolidin-2-one
CID 58826741
3,4-dimethoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8588467
4-ethoxy-3-methoxy-N'-[4-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide
CID 7780107
1-(3-methoxy-4-propan-2-ylphenyl)pyrrolidin-2-one
CID 146634256

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-phenylmethoxyphenyl)piperidin-2-one?
The IUPAC name of 1-(3-methoxy-4-phenylmethoxyphenyl)piperidin-2-one (CID 86198598) is 1-(3-methoxy-4-phenylmethoxyphenyl)piperidin-2-one.
What is the SMILES notation for 1-(3-methoxy-4-phenylmethoxyphenyl)piperidin-2-one?
The canonical SMILES for 1-(3-methoxy-4-phenylmethoxyphenyl)piperidin-2-one is COc1cc(N2CCCCC2=O)ccc1OCc1ccccc1.
What is the InChIKey of 1-(3-methoxy-4-phenylmethoxyphenyl)piperidin-2-one?
The InChIKey is MCSGWTATRVBZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-22-18-13-16(20-12-6-5-9-19(20)21)10-11-17(18)23-14-15-7-3-2-4-8-15/h2-4,7-8,10-11,13H,5-6,9,12,14H2,1H3.
What are the key properties of 1-(3-methoxy-4-phenylmethoxyphenyl)piperidin-2-one?
1-(3-methoxy-4-phenylmethoxyphenyl)piperidin-2-one has a molecular weight of 311.38 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-phenylmethoxyphenyl)piperidin-2-one is sourced from PubChem (CID 86198598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).