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

C16H21NO4 — CID 80722619

IUPAC4-ethyl-1-[2-(2-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)Cc2ccccc2O)CC1
InChIInChI=1S/C16H21NO4/c1-2-16(15(20)21)7-9-17(10-8-16)14(19)11-12-5-3-4-6-13(12)18/h3-6,18H,2,7-11H2,1H3,(H,20,21)
InChIKeyFMRHKJPNHMQJKY-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.04
Rot. Bonds4

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

4-ethyl-1-[2-(2-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid (PubChem CID 80722619) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-ethyl-1-[2-(2-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[2-(2-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid
PubChem CID80722619
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name4-ethyl-1-[2-(2-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)Cc2ccccc2O)CC1
InChIInChI=1S/C16H21NO4/c1-2-16(15(20)21)7-9-17(10-8-16)14(19)11-12-5-3-4-6-13(12)18/h3-6,18H,2,7-11H2,1H3,(H,20,21)
InChIKeyFMRHKJPNHMQJKY-UHFFFAOYSA-N
XLogP2.04
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxylic acid
CID 63124786
3-ethyl-1-[2-(2-hydroxyphenyl)acetyl]piperidine-3-carboxylic acid
CID 80722620
3-ethyl-1-[(2-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 65063893
3-amino-1-[2-(2-hydroxyphenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 107323165
4-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxylic acid
CID 63125200
1-(4-acetyl-1,4-diazepan-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 78990769
1-[2-(2-chlorophenyl)acetyl]-3-ethylpiperidine-3-carboxylic acid
CID 63134129
3-ethyl-1-[2-(3-hydroxyphenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 63145264
2-(2-hydroxyphenyl)-1-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 97444886
3-ethyl-1-(2-pyridin-4-ylacetyl)pyrrolidine-3-carboxylic acid
CID 63146595
4-ethyl-1-(2-thiophen-2-ylsulfanylacetyl)piperidine-4-carboxylic acid
CID 63125405
2-[1-[2-(2-hydroxyphenyl)acetyl]piperidin-4-yl]acetic acid
CID 80741468

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[2-(2-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-[2-(2-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid (CID 80722619) is 4-ethyl-1-[2-(2-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[2-(2-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[2-(2-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)Cc2ccccc2O)CC1.
What is the InChIKey of 4-ethyl-1-[2-(2-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid?
The InChIKey is FMRHKJPNHMQJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-2-16(15(20)21)7-9-17(10-8-16)14(19)11-12-5-3-4-6-13(12)18/h3-6,18H,2,7-11H2,1H3,(H,20,21).
What are the key properties of 4-ethyl-1-[2-(2-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid?
4-ethyl-1-[2-(2-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[2-(2-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 80722619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).