1-[2-(4-ethoxyphenyl)acetyl]piperidine-4-carboxylic acid

C16H21NO4 — CID 43238969

IUPAC1-[2-(4-ethoxyphenyl)acetyl]piperidine-4-carboxylic acid
SMILESCCOc1ccc(CC(=O)N2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C16H21NO4/c1-2-21-14-5-3-12(4-6-14)11-15(18)17-9-7-13(8-10-17)16(19)20/h3-6,13H,2,7-11H2,1H3,(H,19,20)
InChIKeyUQOACTXVJJBVIS-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.95
Rot. Bonds5

About 1-[2-(4-ethoxyphenyl)acetyl]piperidine-4-carboxylic acid

1-[2-(4-ethoxyphenyl)acetyl]piperidine-4-carboxylic acid (PubChem CID 43238969) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[2-(4-ethoxyphenyl)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-ethoxyphenyl)acetyl]piperidine-4-carboxylic acid
PubChem CID43238969
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name1-[2-(4-ethoxyphenyl)acetyl]piperidine-4-carboxylic acid
SMILESCCOc1ccc(CC(=O)N2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C16H21NO4/c1-2-21-14-5-3-12(4-6-14)11-15(18)17-9-7-13(8-10-17)16(19)20/h3-6,13H,2,7-11H2,1H3,(H,19,20)
InChIKeyUQOACTXVJJBVIS-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 1-[2-(4-ethoxyphenyl)acetyl]piperidine-4-carboxylic 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-(4-ethoxyphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 110428417
1-(4-aminopiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone
CID 82365897
1-[4-(1,2-dihydroxyethyl)piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 137337548
1-[4-(2,5-dimethylpyrrol-1-yl)piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 110743420
1-[2-(4-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid
CID 28934157
2-(4-ethoxyphenyl)-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
CID 110396830
1-[2-(4-ethylsulfonylphenyl)acetyl]piperidine-4-carboxylic acid
CID 119166185
1-[4-[2-(4-ethoxyphenyl)acetyl]-1,4-diazepan-1-yl]-2-phenylethanone
CID 108545578
ethyl 4-[2-(4-ethoxyphenyl)acetyl]piperazine-1-carboxylate
CID 78784884
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone;hydrochloride
CID 119621601
1-[2-(4-methoxyphenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 63006760
1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-ethoxyphenyl)ethanone
CID 110743455

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethoxyphenyl)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(4-ethoxyphenyl)acetyl]piperidine-4-carboxylic acid (CID 43238969) is 1-[2-(4-ethoxyphenyl)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(4-ethoxyphenyl)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(4-ethoxyphenyl)acetyl]piperidine-4-carboxylic acid is CCOc1ccc(CC(=O)N2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 1-[2-(4-ethoxyphenyl)acetyl]piperidine-4-carboxylic acid?
The InChIKey is UQOACTXVJJBVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-2-21-14-5-3-12(4-6-14)11-15(18)17-9-7-13(8-10-17)16(19)20/h3-6,13H,2,7-11H2,1H3,(H,19,20).
What are the key properties of 1-[2-(4-ethoxyphenyl)acetyl]piperidine-4-carboxylic acid?
1-[2-(4-ethoxyphenyl)acetyl]piperidine-4-carboxylic 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 1-[2-(4-ethoxyphenyl)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 43238969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).