1-[2-(3-methoxyphenyl)acetyl]-3-methylpiperidine-2-carboxylic acid

C16H21NO4 — CID 107069662

IUPAC1-[2-(3-methoxyphenyl)acetyl]-3-methylpiperidine-2-carboxylic acid
SMILESCOc1cccc(CC(=O)N2CCCC(C)C2C(=O)O)c1
InChIInChI=1S/C16H21NO4/c1-11-5-4-8-17(15(11)16(19)20)14(18)10-12-6-3-7-13(9-12)21-2/h3,6-7,9,11,15H,4-5,8,10H2,1-2H3,(H,19,20)
InChIKeyLOYNREMACHVXCL-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.95
Rot. Bonds4

About 1-[2-(3-methoxyphenyl)acetyl]-3-methylpiperidine-2-carboxylic acid

1-[2-(3-methoxyphenyl)acetyl]-3-methylpiperidine-2-carboxylic acid (PubChem CID 107069662) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenyl)acetyl]-3-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-methoxyphenyl)acetyl]-3-methylpiperidine-2-carboxylic acid
PubChem CID107069662
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name1-[2-(3-methoxyphenyl)acetyl]-3-methylpiperidine-2-carboxylic acid
SMILESCOc1cccc(CC(=O)N2CCCC(C)C2C(=O)O)c1
InChIInChI=1S/C16H21NO4/c1-11-5-4-8-17(15(11)16(19)20)14(18)10-12-6-3-7-13(9-12)21-2/h3,6-7,9,11,15H,4-5,8,10H2,1-2H3,(H,19,20)
InChIKeyLOYNREMACHVXCL-UHFFFAOYSA-N
XLogP1.95
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

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Related Compounds

1-[2-(3-fluorophenyl)acetyl]-3-methylpiperidine-2-carboxylic acid
CID 107069665
1-[2-(3-bromophenyl)acetyl]-3-methylpiperidine-2-carboxylic acid
CID 107069632
1-[2-(3-methoxyphenyl)acetyl]azepane-2-carboxylic acid
CID 64559530
2-(3-methoxyphenyl)-1-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95314657
2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-2-yl]acetic acid
CID 61009136
2-(3-methoxyphenyl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 81484743
1-[2-(hydroxymethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 43421553
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
1-[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 94627524
2-(3-methoxyphenyl)-1-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone
CID 125009146
N-(4-methoxyphenyl)-1-[2-(3-methoxyphenyl)acetyl]pyrrolidine-2-carboxamide
CID 55965959

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyphenyl)acetyl]-3-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(3-methoxyphenyl)acetyl]-3-methylpiperidine-2-carboxylic acid (CID 107069662) is 1-[2-(3-methoxyphenyl)acetyl]-3-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(3-methoxyphenyl)acetyl]-3-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(3-methoxyphenyl)acetyl]-3-methylpiperidine-2-carboxylic acid is COc1cccc(CC(=O)N2CCCC(C)C2C(=O)O)c1.
What is the InChIKey of 1-[2-(3-methoxyphenyl)acetyl]-3-methylpiperidine-2-carboxylic acid?
The InChIKey is LOYNREMACHVXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-11-5-4-8-17(15(11)16(19)20)14(18)10-12-6-3-7-13(9-12)21-2/h3,6-7,9,11,15H,4-5,8,10H2,1-2H3,(H,19,20).
What are the key properties of 1-[2-(3-methoxyphenyl)acetyl]-3-methylpiperidine-2-carboxylic acid?
1-[2-(3-methoxyphenyl)acetyl]-3-methylpiperidine-2-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyphenyl)acetyl]-3-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107069662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).