N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-dimethylbenzamide

C21H25N3O — CID 167799834

IUPACN-[(1-benzylpiperidin-4-ylidene)amino]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NN=C2CCN(Cc3ccccc3)CC2)c(C)c1
InChIInChI=1S/C21H25N3O/c1-16-8-9-20(17(2)14-16)21(25)23-22-19-10-12-24(13-11-19)15-18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3,(H,23,25)
InChIKeyFAOXVBAXNCLKSL-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.69
Rot. Bonds4

About N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-dimethylbenzamide

N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-dimethylbenzamide (PubChem CID 167799834) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-ylidene)amino]-2,4-dimethylbenzamide
PubChem CID167799834
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC NameN-[(1-benzylpiperidin-4-ylidene)amino]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NN=C2CCN(Cc3ccccc3)CC2)c(C)c1
InChIInChI=1S/C21H25N3O/c1-16-8-9-20(17(2)14-16)21(25)23-22-19-10-12-24(13-11-19)15-18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3,(H,23,25)
InChIKeyFAOXVBAXNCLKSL-UHFFFAOYSA-N
XLogP3.69
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.69
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'}

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Related Compounds

N-[(1-benzylpiperidin-4-ylidene)amino]-2,5-dimethylfuran-3-carboxamide
CID 8518796
N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-dichlorobenzamide
CID 1219274
N-[(1-benzylpiperidin-4-ylidene)amino]benzamide
CID 746769
N-[(1-benzylpiperidin-4-ylidene)amino]-3-chloro-6-methyl-1-benzothiophene-2-carboxamide
CID 5058858
N-[(1-benzylpiperidin-4-ylidene)amino]thiophene-2-carboxamide
CID 3516684
N,N'-bis[(1-benzylpiperidin-4-ylidene)amino]hexanediamide
CID 4198414
N-(1-benzylpyrrolidin-3-yl)-2,4-dimethylbenzamide
CID 18156319
N-[(1-benzylpiperidin-4-ylidene)amino]-3,4,5-triethoxybenzamide
CID 4244582
N-[(1-benzylpiperidin-4-ylidene)amino]-4-bromo-1H-pyrrole-2-carboxamide
CID 8982682
N-[(1-benzylpiperidin-4-ylidene)amino]-4-(phenoxymethyl)benzamide
CID 8518184
N-[(1-benzylpiperidin-4-ylidene)amino]-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126355708
(2R)-N-[(1-benzylpiperidin-4-ylidene)amino]-2-benzylsulfanylpropanamide
CID 126354048

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-dimethylbenzamide?
The IUPAC name of N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-dimethylbenzamide (CID 167799834) is N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-dimethylbenzamide?
The canonical SMILES for N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-dimethylbenzamide is Cc1ccc(C(=O)NN=C2CCN(Cc3ccccc3)CC2)c(C)c1.
What is the InChIKey of N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-dimethylbenzamide?
The InChIKey is FAOXVBAXNCLKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-16-8-9-20(17(2)14-16)21(25)23-22-19-10-12-24(13-11-19)15-18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3,(H,23,25).
What are the key properties of N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-dimethylbenzamide?
N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-dimethylbenzamide has a molecular weight of 335.45 g/mol, XLogP of 3.69, 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]-2,4-dimethylbenzamide is sourced from PubChem (CID 167799834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).