2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-2-yl]acetic acid

C16H21NO4 — CID 61009136

IUPAC2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-2-yl]acetic acid
SMILESCOc1cccc(CC(=O)N2CCCCC2CC(=O)O)c1
InChIInChI=1S/C16H21NO4/c1-21-14-7-4-5-12(9-14)10-15(18)17-8-3-2-6-13(17)11-16(19)20/h4-5,7,9,13H,2-3,6,8,10-11H2,1H3,(H,19,20)
InChIKeyDSIJUNBMXILKQP-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.09
Rot. Bonds5

About 2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-2-yl]acetic acid

2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-2-yl]acetic acid (PubChem CID 61009136) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-2-yl]acetic acid
PubChem CID61009136
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-2-yl]acetic acid
SMILESCOc1cccc(CC(=O)N2CCCCC2CC(=O)O)c1
InChIInChI=1S/C16H21NO4/c1-21-14-7-4-5-12(9-14)10-15(18)17-8-3-2-6-13(17)11-16(19)20/h4-5,7,9,13H,2-3,6,8,10-11H2,1H3,(H,19,20)
InChIKeyDSIJUNBMXILKQP-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(hydroxymethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 43421553
1-[2-(3-methoxyphenyl)acetyl]azepane-2-carboxylic acid
CID 64559530
2-(3-methoxyphenyl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 81484743
methyl (2R)-1-[2-(3-methoxyphenyl)acetyl]piperidine-2-carboxylate
CID 79835955
1-[(2S)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 94813603
2-[1-[2-(3-chlorophenyl)acetyl]pyrrolidin-2-yl]acetic acid
CID 62505452
2-(3-methoxyphenyl)-1-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone
CID 125009146
1-[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 96571230
2-(3-methoxyphenyl)-1-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95314657
2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 61369953
1-[2-(3-methoxyphenyl)acetyl]-3-methylpiperidine-2-carboxylic acid
CID 107069662
1-[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 94627524

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-2-yl]acetic acid (CID 61009136) is 2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-2-yl]acetic acid is COc1cccc(CC(=O)N2CCCCC2CC(=O)O)c1.
What is the InChIKey of 2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-2-yl]acetic acid?
The InChIKey is DSIJUNBMXILKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-21-14-7-4-5-12(9-14)10-15(18)17-8-3-2-6-13(17)11-16(19)20/h4-5,7,9,13H,2-3,6,8,10-11H2,1H3,(H,19,20).
What are the key properties of 2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-2-yl]acetic acid?
2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-2-yl]acetic acid has a molecular weight of 291.35 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 61009136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).