1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidine-3-carboxylic acid

C16H19NO4 — CID 24705129

IUPAC1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidine-3-carboxylic acid
SMILESCOc1ccc(/C=C/C(=O)N2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C16H19NO4/c1-21-14-7-4-12(5-8-14)6-9-15(18)17-10-2-3-13(11-17)16(19)20/h4-9,13H,2-3,10-11H2,1H3,(H,19,20)/b9-6+
InChIKeyFWXHMJLDCXMAMR-RMKNXTFCSA-N
MW289.33 g/mol
LogP2.03
Rot. Bonds4

About 1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidine-3-carboxylic acid

1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidine-3-carboxylic acid (PubChem CID 24705129) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidine-3-carboxylic acid
PubChem CID24705129
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidine-3-carboxylic acid
SMILESCOc1ccc(/C=C/C(=O)N2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C16H19NO4/c1-21-14-7-4-12(5-8-14)6-9-15(18)17-10-2-3-13(11-17)16(19)20/h4-9,13H,2-3,10-11H2,1H3,(H,19,20)/b9-6+
InChIKeyFWXHMJLDCXMAMR-RMKNXTFCSA-N
XLogP2.03
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[3-(3,5-dimethoxyphenyl)prop-2-enoyl]piperidine-3-carboxylic acid
CID 126794677
(E)-3-(4-methoxyphenyl)-1-[(3R)-3-methylpiperidin-1-yl]prop-2-en-1-one
CID 898049
(E)-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
CID 773630
1-[3-(4-fluorophenyl)prop-2-enoyl]piperidine-3-carboxylic acid
CID 74313258
(3S)-1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidine-3-carboxylic acid
CID 78925353
1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid
CID 24691683
(E)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 27912646
(E)-3-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one
CID 881729
1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidine-2-carboxylic acid
CID 24711434
1-[3-[4-[cycloheptylidene-(4-hydroxyphenyl)methyl]phenyl]prop-2-enoyl]piperidine-3-carboxylic acid
CID 68654594
(3R)-1-[(4-methoxyphenyl)-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120360
1-[3-(4-ethylphenyl)prop-2-enoyl]pyrrolidine-3-carboxylic acid
CID 76985410

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidine-3-carboxylic acid (CID 24705129) is 1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidine-3-carboxylic acid is COc1ccc(/C=C/C(=O)N2CCCC(C(=O)O)C2)cc1.
What is the InChIKey of 1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidine-3-carboxylic acid?
The InChIKey is FWXHMJLDCXMAMR-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H19NO4/c1-21-14-7-4-12(5-8-14)6-9-15(18)17-10-2-3-13(11-17)16(19)20/h4-9,13H,2-3,10-11H2,1H3,(H,19,20)/b9-6+.
What are the key properties of 1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidine-3-carboxylic acid?
1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidine-3-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 24705129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).