1-acetyl-3,5-dibenzylidenepiperidin-4-one;N-methylmethanamine

C23H26N2O2 — CID 67567619

IUPAC1-acetyl-3,5-dibenzylidenepiperidin-4-one;N-methylmethanamine
SMILESCC(=O)N1CC(=Cc2ccccc2)C(=O)C(=Cc2ccccc2)C1.CNC
InChIInChI=1S/C21H19NO2.C2H7N/c1-16(23)22-14-19(12-17-8-4-2-5-9-17)21(24)20(15-22)13-18-10-6-3-7-11-18;1-3-2/h2-13H,14-15H2,1H3;3H,1-2H3
InChIKeySCUFMNSKGYMFMR-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.42
Rot. Bonds2

About 1-acetyl-3,5-dibenzylidenepiperidin-4-one;N-methylmethanamine

1-acetyl-3,5-dibenzylidenepiperidin-4-one;N-methylmethanamine (PubChem CID 67567619) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-acetyl-3,5-dibenzylidenepiperidin-4-one;N-methylmethanamine.

Molecular Properties

Compound Name1-acetyl-3,5-dibenzylidenepiperidin-4-one;N-methylmethanamine
PubChem CID67567619
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name1-acetyl-3,5-dibenzylidenepiperidin-4-one;N-methylmethanamine
SMILESCC(=O)N1CC(=Cc2ccccc2)C(=O)C(=Cc2ccccc2)C1.CNC
InChIInChI=1S/C21H19NO2.C2H7N/c1-16(23)22-14-19(12-17-8-4-2-5-9-17)21(24)20(15-22)13-18-10-6-3-7-11-18;1-3-2/h2-13H,14-15H2,1H3;3H,1-2H3
InChIKeySCUFMNSKGYMFMR-UHFFFAOYSA-N
XLogP3.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_ene_A(57)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-3,5-dibenzylidenepiperidin-4-one;N-methylmethanamine?
The IUPAC name of 1-acetyl-3,5-dibenzylidenepiperidin-4-one;N-methylmethanamine (CID 67567619) is 1-acetyl-3,5-dibenzylidenepiperidin-4-one;N-methylmethanamine.
What is the SMILES notation for 1-acetyl-3,5-dibenzylidenepiperidin-4-one;N-methylmethanamine?
The canonical SMILES for 1-acetyl-3,5-dibenzylidenepiperidin-4-one;N-methylmethanamine is CC(=O)N1CC(=Cc2ccccc2)C(=O)C(=Cc2ccccc2)C1.CNC.
What is the InChIKey of 1-acetyl-3,5-dibenzylidenepiperidin-4-one;N-methylmethanamine?
The InChIKey is SCUFMNSKGYMFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2.C2H7N/c1-16(23)22-14-19(12-17-8-4-2-5-9-17)21(24)20(15-22)13-18-10-6-3-7-11-18;1-3-2/h2-13H,14-15H2,1H3;3H,1-2H3.
What are the key properties of 1-acetyl-3,5-dibenzylidenepiperidin-4-one;N-methylmethanamine?
1-acetyl-3,5-dibenzylidenepiperidin-4-one;N-methylmethanamine has a molecular weight of 362.47 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3,5-dibenzylidenepiperidin-4-one;N-methylmethanamine is sourced from PubChem (CID 67567619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).