N-(4-formylphenyl)piperidine-4-carboxamide

C13H16N2O2 — CID 130269398

IUPACN-(4-formylphenyl)piperidine-4-carboxamide
SMILESO=Cc1ccc(NC(=O)C2CCNCC2)cc1
InChIInChI=1S/C13H16N2O2/c16-9-10-1-3-12(4-2-10)15-13(17)11-5-7-14-8-6-11/h1-4,9,11,14H,5-8H2,(H,15,17)
InChIKeyIFJOGTNVFCSJJJ-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.44
Rot. Bonds3

About N-(4-formylphenyl)piperidine-4-carboxamide

N-(4-formylphenyl)piperidine-4-carboxamide (PubChem CID 130269398) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-(4-formylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-formylphenyl)piperidine-4-carboxamide
PubChem CID130269398
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-(4-formylphenyl)piperidine-4-carboxamide
SMILESO=Cc1ccc(NC(=O)C2CCNCC2)cc1
InChIInChI=1S/C13H16N2O2/c16-9-10-1-3-12(4-2-10)15-13(17)11-5-7-14-8-6-11/h1-4,9,11,14H,5-8H2,(H,15,17)
InChIKeyIFJOGTNVFCSJJJ-UHFFFAOYSA-N
XLogP1.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 43708676
methyl 4-(piperidine-4-carbonylamino)benzoate
CID 61258374
N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119268961
N-(4-formylphenyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 106912187
N-[4-(methylsulfanylmethyl)phenyl]piperidine-4-carboxamide
CID 119315438
N-(3-formylphenyl)cyclopropanecarboxamide
CID 106912504
N-[4-(1,3,4-oxadiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 61275565
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119288587
sodium;acetic acid;hydride;N-(4-piperidin-4-ylphenyl)piperidine-4-carboxamide
CID 173252213
N-[4-[(4-chlorobenzoyl)amino]phenyl]piperidine-4-carboxamide;hydrochloride
CID 119302107
N-(4-formylphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106912255
N-(3,5-difluorophenyl)piperidine-4-carboxamide
CID 18072624

Frequently Asked Questions

What is the IUPAC name of N-(4-formylphenyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-formylphenyl)piperidine-4-carboxamide (CID 130269398) is N-(4-formylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-formylphenyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-formylphenyl)piperidine-4-carboxamide is O=Cc1ccc(NC(=O)C2CCNCC2)cc1.
What is the InChIKey of N-(4-formylphenyl)piperidine-4-carboxamide?
The InChIKey is IFJOGTNVFCSJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-9-10-1-3-12(4-2-10)15-13(17)11-5-7-14-8-6-11/h1-4,9,11,14H,5-8H2,(H,15,17).
What are the key properties of N-(4-formylphenyl)piperidine-4-carboxamide?
N-(4-formylphenyl)piperidine-4-carboxamide has a molecular weight of 232.28 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-formylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 130269398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).