1-(5-formylfuran-2-yl)-N-methylpiperidine-2-carboxamide

C12H16N2O3 — CID 55039958

IUPAC1-(5-formylfuran-2-yl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1c1ccc(C=O)o1
InChIInChI=1S/C12H16N2O3/c1-13-12(16)10-4-2-3-7-14(10)11-6-5-9(8-15)17-11/h5-6,8,10H,2-4,7H2,1H3,(H,13,16)
InChIKeyJQVSRQYMHDEGFY-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.20
Rot. Bonds3

About 1-(5-formylfuran-2-yl)-N-methylpiperidine-2-carboxamide

1-(5-formylfuran-2-yl)-N-methylpiperidine-2-carboxamide (PubChem CID 55039958) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-(5-formylfuran-2-yl)-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-formylfuran-2-yl)-N-methylpiperidine-2-carboxamide
PubChem CID55039958
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name1-(5-formylfuran-2-yl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1c1ccc(C=O)o1
InChIInChI=1S/C12H16N2O3/c1-13-12(16)10-4-2-3-7-14(10)11-6-5-9(8-15)17-11/h5-6,8,10H,2-4,7H2,1H3,(H,13,16)
InChIKeyJQVSRQYMHDEGFY-UHFFFAOYSA-N
XLogP1.20
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(5-formyl-2-pyridinyl)-N-methylpiperidine-2-carboxamide
CID 80638521
(3S)-1-(5-formylfuran-2-yl)piperidine-3-carboxylic acid
CID 39196870
1-(6-chloro-2-pyridinyl)-N-methylpiperidine-2-carboxamide
CID 63585985
1-[2-chloro-4-[(1R)-1-hydroxyethyl]phenyl]-N-methylpiperidine-2-carboxamide
CID 63371196
N-methyl-1-[6-(methylamino)pyrimidin-4-yl]piperidine-2-carboxamide
CID 80806703
N-methyl-1-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperidine-2-carboxamide
CID 106970901
5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]furan-2-carbaldehyde
CID 102781885
5-(3-methyl-1,4-thiazepan-4-yl)furan-2-carbaldehyde
CID 165460877
1-(2-amino-3-sulfamoylphenyl)-N-methylpiperidine-2-carboxamide
CID 115992520
4-chloro-2-[2-(methylcarbamoyl)piperidin-1-yl]benzoic acid
CID 114845024
3-amino-2-[2-(methylcarbamoyl)piperidin-1-yl]benzoic acid
CID 115934550
1-[2-(aminomethyl)-6-methylphenyl]-N-methylpiperidine-2-carboxamide
CID 107105615

Frequently Asked Questions

What is the IUPAC name of 1-(5-formylfuran-2-yl)-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-(5-formylfuran-2-yl)-N-methylpiperidine-2-carboxamide (CID 55039958) is 1-(5-formylfuran-2-yl)-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-(5-formylfuran-2-yl)-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-(5-formylfuran-2-yl)-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1c1ccc(C=O)o1.
What is the InChIKey of 1-(5-formylfuran-2-yl)-N-methylpiperidine-2-carboxamide?
The InChIKey is JQVSRQYMHDEGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-13-12(16)10-4-2-3-7-14(10)11-6-5-9(8-15)17-11/h5-6,8,10H,2-4,7H2,1H3,(H,13,16).
What are the key properties of 1-(5-formylfuran-2-yl)-N-methylpiperidine-2-carboxamide?
1-(5-formylfuran-2-yl)-N-methylpiperidine-2-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-formylfuran-2-yl)-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 55039958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).