4-[(3-aminophenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide

C23H29N3O — CID 10808721

IUPAC4-[(3-aminophenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2cccc(N)c2)cc1
InChIInChI=1S/C23H29N3O/c1-3-26(4-2)23(27)19-10-8-17(9-11-19)22(18-12-14-25-15-13-18)20-6-5-7-21(24)16-20/h5-11,16,25H,3-4,12-15,24H2,1-2H3
InChIKeyVYRFCOXDNIUBNQ-UHFFFAOYSA-N
MW363.51 g/mol
LogP3.94
Rot. Bonds5

About 4-[(3-aminophenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide

4-[(3-aminophenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide (PubChem CID 10808721) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is 4-[(3-aminophenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[(3-aminophenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide
PubChem CID10808721
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name4-[(3-aminophenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2cccc(N)c2)cc1
InChIInChI=1S/C23H29N3O/c1-3-26(4-2)23(27)19-10-8-17(9-11-19)22(18-12-14-25-15-13-18)20-6-5-7-21(24)16-20/h5-11,16,25H,3-4,12-15,24H2,1-2H3
InChIKeyVYRFCOXDNIUBNQ-UHFFFAOYSA-N
XLogP3.94
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(3-aminophenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide 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 4-[(3-aminophenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide?
The IUPAC name of 4-[(3-aminophenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide (CID 10808721) is 4-[(3-aminophenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[(3-aminophenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide?
The canonical SMILES for 4-[(3-aminophenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2cccc(N)c2)cc1.
What is the InChIKey of 4-[(3-aminophenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide?
The InChIKey is VYRFCOXDNIUBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-3-26(4-2)23(27)19-10-8-17(9-11-19)22(18-12-14-25-15-13-18)20-6-5-7-21(24)16-20/h5-11,16,25H,3-4,12-15,24H2,1-2H3.
What are the key properties of 4-[(3-aminophenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide?
4-[(3-aminophenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide has a molecular weight of 363.51 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-aminophenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide is sourced from PubChem (CID 10808721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).