3-[2-fluoro-4-(piperidine-1-carbonylamino)phenyl]prop-2-enoic acid

C15H17FN2O3 — CID 79156921

IUPAC3-[2-fluoro-4-(piperidine-1-carbonylamino)phenyl]prop-2-enoic acid
SMILESO=C(O)C=Cc1ccc(NC(=O)N2CCCCC2)cc1F
InChIInChI=1S/C15H17FN2O3/c16-13-10-12(6-4-11(13)5-7-14(19)20)17-15(21)18-8-2-1-3-9-18/h4-7,10H,1-3,8-9H2,(H,17,21)(H,19,20)
InChIKeyXSXMANOKVVBAIN-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.94
Rot. Bonds3

About 3-[2-fluoro-4-(piperidine-1-carbonylamino)phenyl]prop-2-enoic acid

3-[2-fluoro-4-(piperidine-1-carbonylamino)phenyl]prop-2-enoic acid (PubChem CID 79156921) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is 3-[2-fluoro-4-(piperidine-1-carbonylamino)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[2-fluoro-4-(piperidine-1-carbonylamino)phenyl]prop-2-enoic acid
PubChem CID79156921
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name3-[2-fluoro-4-(piperidine-1-carbonylamino)phenyl]prop-2-enoic acid
SMILESO=C(O)C=Cc1ccc(NC(=O)N2CCCCC2)cc1F
InChIInChI=1S/C15H17FN2O3/c16-13-10-12(6-4-11(13)5-7-14(19)20)17-15(21)18-8-2-1-3-9-18/h4-7,10H,1-3,8-9H2,(H,17,21)(H,19,20)
InChIKeyXSXMANOKVVBAIN-UHFFFAOYSA-N
XLogP2.94
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-difluorophenyl)piperidine-1-carboxamide
CID 90728139
N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide
CID 108987923
3-[4-(tert-butylcarbamoylamino)-2-fluorophenyl]prop-2-enoic acid
CID 77069562
N-(3-fluoro-4-nitrophenyl)piperidine-1-carboxamide
CID 116657035
3-[2-fluoro-4-(2-methylbutanoylamino)phenyl]prop-2-enoic acid
CID 77069469
(3S)-1-[(3,4-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512909
3-(2,4-difluorophenyl)-1-piperidin-1-ylprop-2-en-1-one
CID 91413237
N-quinoxalin-6-ylpiperidine-1-carboxamide
CID 798080
N-(4-fluoro-3-methoxyphenyl)azepane-1-carboxamide
CID 114839187
N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]azepane-1-carboxamide
CID 79157683
N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 47456948
N-(3,4-difluorophenyl)-4-methylpiperazine-1-carboxamide
CID 21019691

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-4-(piperidine-1-carbonylamino)phenyl]prop-2-enoic acid?
The IUPAC name of 3-[2-fluoro-4-(piperidine-1-carbonylamino)phenyl]prop-2-enoic acid (CID 79156921) is 3-[2-fluoro-4-(piperidine-1-carbonylamino)phenyl]prop-2-enoic acid.
What is the SMILES notation for 3-[2-fluoro-4-(piperidine-1-carbonylamino)phenyl]prop-2-enoic acid?
The canonical SMILES for 3-[2-fluoro-4-(piperidine-1-carbonylamino)phenyl]prop-2-enoic acid is O=C(O)C=Cc1ccc(NC(=O)N2CCCCC2)cc1F.
What is the InChIKey of 3-[2-fluoro-4-(piperidine-1-carbonylamino)phenyl]prop-2-enoic acid?
The InChIKey is XSXMANOKVVBAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c16-13-10-12(6-4-11(13)5-7-14(19)20)17-15(21)18-8-2-1-3-9-18/h4-7,10H,1-3,8-9H2,(H,17,21)(H,19,20).
What are the key properties of 3-[2-fluoro-4-(piperidine-1-carbonylamino)phenyl]prop-2-enoic acid?
3-[2-fluoro-4-(piperidine-1-carbonylamino)phenyl]prop-2-enoic acid has a molecular weight of 292.31 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-4-(piperidine-1-carbonylamino)phenyl]prop-2-enoic acid is sourced from PubChem (CID 79156921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).