1-(4-formyl-3-methylphenyl)-N-methylpiperidine-3-carboxamide

C15H20N2O2 — CID 103196506

IUPAC1-(4-formyl-3-methylphenyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2ccc(C=O)c(C)c2)C1
InChIInChI=1S/C15H20N2O2/c1-11-8-14(6-5-13(11)10-18)17-7-3-4-12(9-17)15(19)16-2/h5-6,8,10,12H,3-4,7,9H2,1-2H3,(H,16,19)
InChIKeyTWXOXEYKPJWXJI-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.77
Rot. Bonds3

About 1-(4-formyl-3-methylphenyl)-N-methylpiperidine-3-carboxamide

1-(4-formyl-3-methylphenyl)-N-methylpiperidine-3-carboxamide (PubChem CID 103196506) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(4-formyl-3-methylphenyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-formyl-3-methylphenyl)-N-methylpiperidine-3-carboxamide
PubChem CID103196506
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-(4-formyl-3-methylphenyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2ccc(C=O)c(C)c2)C1
InChIInChI=1S/C15H20N2O2/c1-11-8-14(6-5-13(11)10-18)17-7-3-4-12(9-17)15(19)16-2/h5-6,8,10,12H,3-4,7,9H2,1-2H3,(H,16,19)
InChIKeyTWXOXEYKPJWXJI-UHFFFAOYSA-N
XLogP1.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.77
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-aminophenyl)-N-methylpiperidine-3-carboxamide
CID 103194412
1-(4-acetyl-3-chlorophenyl)-N-methylpiperidine-3-carboxamide
CID 103196319
4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-methylbenzaldehyde
CID 112626083
N-methyl-1-(4-methylsulfonylphenyl)piperidine-3-carboxamide
CID 166604954
1-[4-(aminomethyl)-3-chlorophenyl]-N-methylpiperidine-3-carboxamide
CID 103194575
1-(4-carbamothioyl-3-fluorophenyl)-N-methylpiperidine-3-carboxamide
CID 103195931
N-methyl-1-(4-methylquinolin-2-yl)piperidine-3-carboxamide
CID 166605152
1-(2-aminophenyl)-N-methylpiperidine-3-carboxamide
CID 103194310
1-[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]-N-methylpiperidine-3-carboxamide
CID 103196779
1-(2-amino-4-iodophenyl)-N-methylpiperidine-3-carboxamide
CID 103194316
1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]-N-methylpiperidine-3-carboxamide
CID 103196759
2-methyl-4-(2-methylpyrrolidin-1-yl)benzaldehyde
CID 62135927

Frequently Asked Questions

What is the IUPAC name of 1-(4-formyl-3-methylphenyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(4-formyl-3-methylphenyl)-N-methylpiperidine-3-carboxamide (CID 103196506) is 1-(4-formyl-3-methylphenyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-formyl-3-methylphenyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4-formyl-3-methylphenyl)-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(c2ccc(C=O)c(C)c2)C1.
What is the InChIKey of 1-(4-formyl-3-methylphenyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is TWXOXEYKPJWXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11-8-14(6-5-13(11)10-18)17-7-3-4-12(9-17)15(19)16-2/h5-6,8,10,12H,3-4,7,9H2,1-2H3,(H,16,19).
What are the key properties of 1-(4-formyl-3-methylphenyl)-N-methylpiperidine-3-carboxamide?
1-(4-formyl-3-methylphenyl)-N-methylpiperidine-3-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-formyl-3-methylphenyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103196506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).