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

C15H16FNO3 — CID 74313258

IUPAC1-[3-(4-fluorophenyl)prop-2-enoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)C=Cc2ccc(F)cc2)C1
InChIInChI=1S/C15H16FNO3/c16-13-6-3-11(4-7-13)5-8-14(18)17-9-1-2-12(10-17)15(19)20/h3-8,12H,1-2,9-10H2,(H,19,20)
InChIKeyPADVQWLDDRAWES-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.16
Rot. Bonds3

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

1-[3-(4-fluorophenyl)prop-2-enoyl]piperidine-3-carboxylic acid (PubChem CID 74313258) has the molecular formula C15H16FNO3 and a molecular weight of 277.30 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)prop-2-enoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)prop-2-enoyl]piperidine-3-carboxylic acid
PubChem CID74313258
Molecular FormulaC15H16FNO3
Molecular Weight277.30 g/mol
Exact Mass277.11
IUPAC Name1-[3-(4-fluorophenyl)prop-2-enoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)C=Cc2ccc(F)cc2)C1
InChIInChI=1S/C15H16FNO3/c16-13-6-3-11(4-7-13)5-8-14(18)17-9-1-2-12(10-17)15(19)20/h3-8,12H,1-2,9-10H2,(H,19,20)
InChIKeyPADVQWLDDRAWES-UHFFFAOYSA-N
XLogP2.16
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(4-fluorophenyl)-1-piperidin-1-ylprop-2-en-1-one
CID 2162232
(E)-3-(4-fluorophenyl)-1-(3-hydroxypiperidin-1-yl)prop-2-en-1-one
CID 43415694
1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidine-3-carboxylic acid
CID 24705129
(3S)-1-[(E)-4-(4-fluorophenyl)but-3-enoyl]piperidine-3-carboxylic acid
CID 119173682
(3S)-1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidine-3-carboxylic acid
CID 78925353
1-[3-(2,6-difluorophenyl)prop-2-enoyl]piperidine-3-carboxylic acid
CID 126784688
(Z)-3-(4-fluorophenyl)-1-[(3R)-3-(methylamino)piperidin-1-yl]prop-2-en-1-one
CID 129407336
1-[3-[4-[cycloheptylidene-(4-hydroxyphenyl)methyl]phenyl]prop-2-enoyl]piperidine-3-carboxylic acid
CID 68654594
1-[(E)-3-(2,3-difluorophenyl)prop-2-enoyl]piperidine-3-carboxylic acid
CID 141069304
1-[3-(1-aminoethyl)piperidin-1-yl]-3-(4-fluorophenyl)prop-2-en-1-one
CID 77015524
(3S)-1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 94131947
1-[(Z)-3-(4-fluorophenyl)-2-methylprop-2-enoyl]piperidine-3-carboxylic acid
CID 86782489

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)prop-2-enoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[3-(4-fluorophenyl)prop-2-enoyl]piperidine-3-carboxylic acid (CID 74313258) is 1-[3-(4-fluorophenyl)prop-2-enoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(4-fluorophenyl)prop-2-enoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(4-fluorophenyl)prop-2-enoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)C=Cc2ccc(F)cc2)C1.
What is the InChIKey of 1-[3-(4-fluorophenyl)prop-2-enoyl]piperidine-3-carboxylic acid?
The InChIKey is PADVQWLDDRAWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3/c16-13-6-3-11(4-7-13)5-8-14(18)17-9-1-2-12(10-17)15(19)20/h3-8,12H,1-2,9-10H2,(H,19,20).
What are the key properties of 1-[3-(4-fluorophenyl)prop-2-enoyl]piperidine-3-carboxylic acid?
1-[3-(4-fluorophenyl)prop-2-enoyl]piperidine-3-carboxylic acid has a molecular weight of 277.30 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)prop-2-enoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 74313258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).