N-(2-methyl-1-phenyl-2-piperidin-1-ium-1-ylpropylidene)-2-phenylacetamide chloride

C23H29ClN2O — CID 25985

IUPACN-(2-methyl-1-phenyl-2-piperidin-1-ium-1-ylpropylidene)-2-phenylacetamide chloride
SMILESCC(C)(/C(=N/C(=O)Cc1ccccc1)c1ccccc1)[NH+]1CCCCC1.[Cl-]
InChIInChI=1S/C23H28N2O.ClH/c1-23(2,25-16-10-5-11-17-25)22(20-14-8-4-9-15-20)24-21(26)18-19-12-6-3-7-13-19;/h3-4,6-9,12-15H,5,10-11,16-18H2,1-2H3;1H/b24-22+;
InChIKeyDJRQCTIYWBSHKR-HDPAMLMOSA-N
MW384.95 g/mol
LogP0.10
Rot. Bonds5

About N-(2-methyl-1-phenyl-2-piperidin-1-ium-1-ylpropylidene)-2-phenylacetamide chloride

N-(2-methyl-1-phenyl-2-piperidin-1-ium-1-ylpropylidene)-2-phenylacetamide chloride (PubChem CID 25985) has the molecular formula C23H29ClN2O and a molecular weight of 384.95 g/mol. Its IUPAC name is N-(2-methyl-1-phenyl-2-piperidin-1-ium-1-ylpropylidene)-2-phenylacetamide chloride.

Molecular Properties

Compound NameN-(2-methyl-1-phenyl-2-piperidin-1-ium-1-ylpropylidene)-2-phenylacetamide chloride
PubChem CID25985
Molecular FormulaC23H29ClN2O
Molecular Weight384.95 g/mol
Exact Mass384.20
IUPAC NameN-(2-methyl-1-phenyl-2-piperidin-1-ium-1-ylpropylidene)-2-phenylacetamide chloride
SMILESCC(C)(/C(=N/C(=O)Cc1ccccc1)c1ccccc1)[NH+]1CCCCC1.[Cl-]
InChIInChI=1S/C23H28N2O.ClH/c1-23(2,25-16-10-5-11-17-25)22(20-14-8-4-9-15-20)24-21(26)18-19-12-6-3-7-13-19;/h3-4,6-9,12-15H,5,10-11,16-18H2,1-2H3;1H/b24-22+;
InChIKeyDJRQCTIYWBSHKR-HDPAMLMOSA-N
XLogP0.10
TPSA33.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.95
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-(2-methyl-1-phenyl-2-piperidin-1-ium-1-ylpropylidene)-2-phenylacetamide chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-phenyl-2-piperidin-1-ium-1-ylpropylidene)-2-phenylacetamide chloride?
The IUPAC name of N-(2-methyl-1-phenyl-2-piperidin-1-ium-1-ylpropylidene)-2-phenylacetamide chloride (CID 25985) is N-(2-methyl-1-phenyl-2-piperidin-1-ium-1-ylpropylidene)-2-phenylacetamide chloride.
What is the SMILES notation for N-(2-methyl-1-phenyl-2-piperidin-1-ium-1-ylpropylidene)-2-phenylacetamide chloride?
The canonical SMILES for N-(2-methyl-1-phenyl-2-piperidin-1-ium-1-ylpropylidene)-2-phenylacetamide chloride is CC(C)(/C(=N/C(=O)Cc1ccccc1)c1ccccc1)[NH+]1CCCCC1.[Cl-].
What is the InChIKey of N-(2-methyl-1-phenyl-2-piperidin-1-ium-1-ylpropylidene)-2-phenylacetamide chloride?
The InChIKey is DJRQCTIYWBSHKR-HDPAMLMOSA-N. The full InChI is InChI=1S/C23H28N2O.ClH/c1-23(2,25-16-10-5-11-17-25)22(20-14-8-4-9-15-20)24-21(26)18-19-12-6-3-7-13-19;/h3-4,6-9,12-15H,5,10-11,16-18H2,1-2H3;1H/b24-22+;.
What are the key properties of N-(2-methyl-1-phenyl-2-piperidin-1-ium-1-ylpropylidene)-2-phenylacetamide chloride?
N-(2-methyl-1-phenyl-2-piperidin-1-ium-1-ylpropylidene)-2-phenylacetamide chloride has a molecular weight of 384.95 g/mol, XLogP of 0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-phenyl-2-piperidin-1-ium-1-ylpropylidene)-2-phenylacetamide chloride is sourced from PubChem (CID 25985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).