1-(4-fluoro-2-formylphenyl)piperidine-4-carboxamide

C13H15FN2O2 — CID 43312913

IUPAC1-(4-fluoro-2-formylphenyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ccc(F)cc2C=O)CC1
InChIInChI=1S/C13H15FN2O2/c14-11-1-2-12(10(7-11)8-17)16-5-3-9(4-6-16)13(15)18/h1-2,7-9H,3-6H2,(H2,15,18)
InChIKeyWHTZMJYSSRKMIV-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.34
Rot. Bonds3

About 1-(4-fluoro-2-formylphenyl)piperidine-4-carboxamide

1-(4-fluoro-2-formylphenyl)piperidine-4-carboxamide (PubChem CID 43312913) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 1-(4-fluoro-2-formylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluoro-2-formylphenyl)piperidine-4-carboxamide
PubChem CID43312913
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name1-(4-fluoro-2-formylphenyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ccc(F)cc2C=O)CC1
InChIInChI=1S/C13H15FN2O2/c14-11-1-2-12(10(7-11)8-17)16-5-3-9(4-6-16)13(15)18/h1-2,7-9H,3-6H2,(H2,15,18)
InChIKeyWHTZMJYSSRKMIV-UHFFFAOYSA-N
XLogP1.34
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-fluorophenyl)piperidine-4-carboxamide
CID 117008345
2-(4-acetylpiperazin-1-yl)-5-fluorobenzaldehyde
CID 43312919
5-fluoro-2-[3-(hydroxymethyl)pyrrolidin-1-yl]benzaldehyde
CID 112626066
1-(3-chloro-2-formylphenyl)piperidine-4-carboxamide
CID 28603686
1-[4-(1-aminoethyl)-2-fluorophenyl]piperidine-4-carboxamide
CID 43188807
2-(4-aminopiperidin-1-yl)-5-fluorobenzamide
CID 55232289
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-fluorobenzaldehyde
CID 115560388
5-fluoro-2-(4-propan-2-ylpiperazin-1-yl)benzaldehyde
CID 43585389
2-(4-tert-butylpiperazin-1-yl)-5-fluorobenzaldehyde
CID 61433274
5-bromo-2-(4-carbamoylpiperidin-1-yl)benzoic acid
CID 114061337
1-[2-fluoro-4-(propylaminomethyl)phenyl]piperidine-4-carboxamide
CID 43280798
5-fluoro-2-[2-(hydroxymethyl)piperidin-1-yl]benzaldehyde
CID 61407533

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-formylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-fluoro-2-formylphenyl)piperidine-4-carboxamide (CID 43312913) is 1-(4-fluoro-2-formylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-fluoro-2-formylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-fluoro-2-formylphenyl)piperidine-4-carboxamide is NC(=O)C1CCN(c2ccc(F)cc2C=O)CC1.
What is the InChIKey of 1-(4-fluoro-2-formylphenyl)piperidine-4-carboxamide?
The InChIKey is WHTZMJYSSRKMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c14-11-1-2-12(10(7-11)8-17)16-5-3-9(4-6-16)13(15)18/h1-2,7-9H,3-6H2,(H2,15,18).
What are the key properties of 1-(4-fluoro-2-formylphenyl)piperidine-4-carboxamide?
1-(4-fluoro-2-formylphenyl)piperidine-4-carboxamide has a molecular weight of 250.27 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-formylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 43312913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).