2-[3-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]acetic acid

C16H21NO4 — CID 61398074

IUPAC2-[3-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]acetic acid
SMILESCC1CCCN(C(=O)COc2cccc(CC(=O)O)c2)C1
InChIInChI=1S/C16H21NO4/c1-12-4-3-7-17(10-12)15(18)11-21-14-6-2-5-13(8-14)9-16(19)20/h2,5-6,8,12H,3-4,7,9-11H2,1H3,(H,19,20)
InChIKeyYPZCESRQTDKWDH-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.95
Rot. Bonds5

About 2-[3-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]acetic acid

2-[3-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]acetic acid (PubChem CID 61398074) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[3-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]acetic acid
PubChem CID61398074
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-[3-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]acetic acid
SMILESCC1CCCN(C(=O)COc2cccc(CC(=O)O)c2)C1
InChIInChI=1S/C16H21NO4/c1-12-4-3-7-17(10-12)15(18)11-21-14-6-2-5-13(8-14)9-16(19)20/h2,5-6,8,12H,3-4,7,9-11H2,1H3,(H,19,20)
InChIKeyYPZCESRQTDKWDH-UHFFFAOYSA-N
XLogP1.95
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]acetic acid 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-(methylaminomethyl)phenoxy]-1-(3-methylpiperidin-1-yl)ethanone
CID 106485942
1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone
CID 40543103
2-[3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]phenyl]acetic acid
CID 119352027
1-(3-methylpiperidin-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone
CID 17461140
1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
CID 668860
2-(4-chloro-3-methylphenoxy)-1-(3-methylpiperidin-1-yl)ethanone
CID 112978910
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-ethylphenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 66262044
2-(3-methoxyphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone
CID 124574816
1-[2-(3-ethylphenoxy)acetyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63721723
(3S)-1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidine-3-carboxylic acid
CID 119173861

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]acetic acid?
The IUPAC name of 2-[3-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]acetic acid (CID 61398074) is 2-[3-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]acetic acid?
The canonical SMILES for 2-[3-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]acetic acid is CC1CCCN(C(=O)COc2cccc(CC(=O)O)c2)C1.
What is the InChIKey of 2-[3-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]acetic acid?
The InChIKey is YPZCESRQTDKWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-12-4-3-7-17(10-12)15(18)11-21-14-6-2-5-13(8-14)9-16(19)20/h2,5-6,8,12H,3-4,7,9-11H2,1H3,(H,19,20).
What are the key properties of 2-[3-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]acetic acid?
2-[3-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]acetic acid has a molecular weight of 291.35 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]acetic acid is sourced from PubChem (CID 61398074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).