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

C15H16FNO3 — CID 74868259

IUPAC1-[3-(3-fluorophenyl)prop-2-enoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)C=Cc2cccc(F)c2)CC1
InChIInChI=1S/C15H16FNO3/c16-13-3-1-2-11(10-13)4-5-14(18)17-8-6-12(7-9-17)15(19)20/h1-5,10,12H,6-9H2,(H,19,20)
InChIKeyUSGFQUCYGUAGOV-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.16
Rot. Bonds3

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

1-[3-(3-fluorophenyl)prop-2-enoyl]piperidine-4-carboxylic acid (PubChem CID 74868259) has the molecular formula C15H16FNO3 and a molecular weight of 277.29 g/mol. Its IUPAC name is 1-[3-(3-fluorophenyl)prop-2-enoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-(3-fluorophenyl)prop-2-enoyl]piperidine-4-carboxylic acid
PubChem CID74868259
Molecular FormulaC15H16FNO3
Molecular Weight277.29 g/mol
Exact Mass277.11
IUPAC Name1-[3-(3-fluorophenyl)prop-2-enoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)C=Cc2cccc(F)c2)CC1
InChIInChI=1S/C15H16FNO3/c16-13-3-1-2-11(10-13)4-5-14(18)17-8-6-12(7-9-17)15(19)20/h1-5,10,12H,6-9H2,(H,19,20)
InChIKeyUSGFQUCYGUAGOV-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 ≤ 500277.29
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

1-[3-(3-fluorophenyl)prop-2-enoyl]azetidine-3-carboxylic acid
CID 77034563
3-(3-fluorophenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
CID 73010756
1-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperidine-4-carboxylic acid
CID 43091920
1-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-N-phenylpiperidine-4-carboxamide
CID 9051294
1-[3-(3,4,5-trifluorophenyl)prop-2-enoyl]piperidine-4-carboxylic acid
CID 69405214
(E)-1-[4-(3,4-difluorophenoxy)piperidin-1-yl]-3-(3-fluorophenyl)prop-2-en-1-one
CID 84563478
N-[1-[3-(3-fluorophenyl)prop-2-enoyl]piperidin-4-yl]-N-methylethanesulfonamide
CID 72689495
(E)-3-(3-fluorophenyl)-1-[(3S)-3-hydroxypiperidin-1-yl]prop-2-en-1-one
CID 107224874
(E)-3-(3-fluorophenyl)-1-(3-hydroxypiperidin-1-yl)prop-2-en-1-one
CID 43415685
1-[4-(2,4-difluorobenzoyl)piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 141330450
1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 76868299
1-(3-pyridin-3-ylprop-2-enoyl)piperidine-4-carboxylic acid
CID 74865282

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-fluorophenyl)prop-2-enoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[3-(3-fluorophenyl)prop-2-enoyl]piperidine-4-carboxylic acid (CID 74868259) is 1-[3-(3-fluorophenyl)prop-2-enoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[3-(3-fluorophenyl)prop-2-enoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[3-(3-fluorophenyl)prop-2-enoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)C=Cc2cccc(F)c2)CC1.
What is the InChIKey of 1-[3-(3-fluorophenyl)prop-2-enoyl]piperidine-4-carboxylic acid?
The InChIKey is USGFQUCYGUAGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3/c16-13-3-1-2-11(10-13)4-5-14(18)17-8-6-12(7-9-17)15(19)20/h1-5,10,12H,6-9H2,(H,19,20).
What are the key properties of 1-[3-(3-fluorophenyl)prop-2-enoyl]piperidine-4-carboxylic acid?
1-[3-(3-fluorophenyl)prop-2-enoyl]piperidine-4-carboxylic acid has a molecular weight of 277.29 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-(3-fluorophenyl)prop-2-enoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 74868259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).