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

C16H18FNO3 — CID 86782489

IUPAC1-[(Z)-3-(4-fluorophenyl)-2-methylprop-2-enoyl]piperidine-3-carboxylic acid
SMILESC/C(=C/c1ccc(F)cc1)C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C16H18FNO3/c1-11(9-12-4-6-14(17)7-5-12)15(19)18-8-2-3-13(10-18)16(20)21/h4-7,9,13H,2-3,8,10H2,1H3,(H,20,21)/b11-9-
InChIKeyZXTSWOBILUFYQF-LUAWRHEFSA-N
MW291.32 g/mol
LogP2.55
Rot. Bonds3

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

1-[(Z)-3-(4-fluorophenyl)-2-methylprop-2-enoyl]piperidine-3-carboxylic acid (PubChem CID 86782489) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is 1-[(Z)-3-(4-fluorophenyl)-2-methylprop-2-enoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(Z)-3-(4-fluorophenyl)-2-methylprop-2-enoyl]piperidine-3-carboxylic acid
PubChem CID86782489
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC Name1-[(Z)-3-(4-fluorophenyl)-2-methylprop-2-enoyl]piperidine-3-carboxylic acid
SMILESC/C(=C/c1ccc(F)cc1)C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C16H18FNO3/c1-11(9-12-4-6-14(17)7-5-12)15(19)18-8-2-3-13(10-18)16(20)21/h4-7,9,13H,2-3,8,10H2,1H3,(H,20,21)/b11-9-
InChIKeyZXTSWOBILUFYQF-LUAWRHEFSA-N
XLogP2.55
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.55
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

5-cyclohexyl-1-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enoyl]piperidine-3-carboxylic acid;ethane
CID 170620272
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(4-fluorophenyl)-2-methylprop-2-en-1-one
CID 91943349
1-[3-(4-fluorophenyl)prop-2-enoyl]piperidine-3-carboxylic acid
CID 74313258
(3S)-1-[(E)-4-(4-fluorophenyl)but-3-enoyl]piperidine-3-carboxylic acid
CID 119173682
(3R)-1-[(4-fluorophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81121086
(3R)-1-[(Z)-2,3-diphenylprop-2-enoyl]piperidine-3-carboxylic acid
CID 92659285
1-cyclopropyl-4-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enoyl]piperazine-2-carbonitrile
CID 132965549
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-one
CID 889083
(Z)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-one
CID 889084
(Z)-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methyl-3-(4-methylphenyl)prop-2-en-1-one
CID 110005888
1-[(E)-3-(2,4-difluorophenyl)but-2-enoyl]piperidine-3-carboxylic acid
CID 132984176
1-[[2-(4-fluorophenyl)-2-methylpropyl]carbamoyl]piperidine-3-carboxylic acid
CID 122000719

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-3-(4-fluorophenyl)-2-methylprop-2-enoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(Z)-3-(4-fluorophenyl)-2-methylprop-2-enoyl]piperidine-3-carboxylic acid (CID 86782489) is 1-[(Z)-3-(4-fluorophenyl)-2-methylprop-2-enoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(Z)-3-(4-fluorophenyl)-2-methylprop-2-enoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(Z)-3-(4-fluorophenyl)-2-methylprop-2-enoyl]piperidine-3-carboxylic acid is C/C(=C/c1ccc(F)cc1)C(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[(Z)-3-(4-fluorophenyl)-2-methylprop-2-enoyl]piperidine-3-carboxylic acid?
The InChIKey is ZXTSWOBILUFYQF-LUAWRHEFSA-N. The full InChI is InChI=1S/C16H18FNO3/c1-11(9-12-4-6-14(17)7-5-12)15(19)18-8-2-3-13(10-18)16(20)21/h4-7,9,13H,2-3,8,10H2,1H3,(H,20,21)/b11-9-.
What are the key properties of 1-[(Z)-3-(4-fluorophenyl)-2-methylprop-2-enoyl]piperidine-3-carboxylic acid?
1-[(Z)-3-(4-fluorophenyl)-2-methylprop-2-enoyl]piperidine-3-carboxylic acid has a molecular weight of 291.32 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-3-(4-fluorophenyl)-2-methylprop-2-enoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 86782489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).