N-[(1-benzylpiperidin-4-ylidene)amino]benzamide

C19H21N3O — CID 746769

IUPACN-[(1-benzylpiperidin-4-ylidene)amino]benzamide
SMILESO=C(NN=C1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C19H21N3O/c23-19(17-9-5-2-6-10-17)21-20-18-11-13-22(14-12-18)15-16-7-3-1-4-8-16/h1-10H,11-15H2,(H,21,23)
InChIKeyJEFNDTXEEJIKII-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.07
Rot. Bonds4

About N-[(1-benzylpiperidin-4-ylidene)amino]benzamide

N-[(1-benzylpiperidin-4-ylidene)amino]benzamide (PubChem CID 746769) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-ylidene)amino]benzamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-ylidene)amino]benzamide
PubChem CID746769
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN-[(1-benzylpiperidin-4-ylidene)amino]benzamide
SMILESO=C(NN=C1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C19H21N3O/c23-19(17-9-5-2-6-10-17)21-20-18-11-13-22(14-12-18)15-16-7-3-1-4-8-16/h1-10H,11-15H2,(H,21,23)
InChIKeyJEFNDTXEEJIKII-UHFFFAOYSA-N
XLogP3.07
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(1-benzylpiperidin-4-ylidene)amino]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(1-benzylpiperidin-4-ylidene)amino]-4-(phenoxymethyl)benzamide
CID 8518184
N-[(1-benzylpiperidin-4-ylidene)amino]-3,4,5-triethoxybenzamide
CID 4244582
N-[(1-benzylpiperidin-4-ylidene)amino]thiophene-2-carboxamide
CID 3516684
N,N'-bis[(1-benzylpiperidin-4-ylidene)amino]hexanediamide
CID 4198414
N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-dichlorobenzamide
CID 1219274
N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-dimethylbenzamide
CID 167799834
N-[(1-benzylpiperidin-4-ylidene)amino]-2,5-dimethylfuran-3-carboxamide
CID 8518796
N-[(1-benzylpiperidin-4-ylidene)amino]-4-bromo-1H-pyrrole-2-carboxamide
CID 8982682
N-[(1-benzylpiperidin-4-ylidene)amino]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 126347887
N-(cyclooctylideneamino)-4-(morpholin-4-ylmethyl)benzamide
CID 762046
(2R)-N-[(1-benzylpiperidin-4-ylidene)amino]-2-benzylsulfanylpropanamide
CID 126354048
N-[(1-benzylpiperidin-4-ylidene)amino]-4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 126345598

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-ylidene)amino]benzamide?
The IUPAC name of N-[(1-benzylpiperidin-4-ylidene)amino]benzamide (CID 746769) is N-[(1-benzylpiperidin-4-ylidene)amino]benzamide.
What is the SMILES notation for N-[(1-benzylpiperidin-4-ylidene)amino]benzamide?
The canonical SMILES for N-[(1-benzylpiperidin-4-ylidene)amino]benzamide is O=C(NN=C1CCN(Cc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-[(1-benzylpiperidin-4-ylidene)amino]benzamide?
The InChIKey is JEFNDTXEEJIKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c23-19(17-9-5-2-6-10-17)21-20-18-11-13-22(14-12-18)15-16-7-3-1-4-8-16/h1-10H,11-15H2,(H,21,23).
What are the key properties of N-[(1-benzylpiperidin-4-ylidene)amino]benzamide?
N-[(1-benzylpiperidin-4-ylidene)amino]benzamide has a molecular weight of 307.40 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-ylidene)amino]benzamide is sourced from PubChem (CID 746769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).