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

C19H19Cl2N3O — CID 1219274

IUPACN-[(1-benzylpiperidin-4-ylidene)amino]-2,4-dichlorobenzamide
SMILESO=C(NN=C1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H19Cl2N3O/c20-15-6-7-17(18(21)12-15)19(25)23-22-16-8-10-24(11-9-16)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,23,25)
InChIKeyYVFUOFDSERSMKH-UHFFFAOYSA-N
MW376.29 g/mol
LogP4.38
Rot. Bonds4

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

N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-dichlorobenzamide (PubChem CID 1219274) has the molecular formula C19H19Cl2N3O and a molecular weight of 376.29 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-ylidene)amino]-2,4-dichlorobenzamide
PubChem CID1219274
Molecular FormulaC19H19Cl2N3O
Molecular Weight376.29 g/mol
Exact Mass375.09
IUPAC NameN-[(1-benzylpiperidin-4-ylidene)amino]-2,4-dichlorobenzamide
SMILESO=C(NN=C1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H19Cl2N3O/c20-15-6-7-17(18(21)12-15)19(25)23-22-16-8-10-24(11-9-16)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,23,25)
InChIKeyYVFUOFDSERSMKH-UHFFFAOYSA-N
XLogP4.38
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 54.38
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]-2,4-dimethylbenzamide
CID 167799834
N-[(1-benzylpiperidin-4-ylidene)amino]benzamide
CID 746769
N-[(1-benzylpiperidin-4-ylidene)amino]-2,5-dimethylfuran-3-carboxamide
CID 8518796
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]-4-bromo-1H-pyrrole-2-carboxamide
CID 8982682
(2S)-N-[(1-benzylpiperidin-4-ylidene)amino]-2-(4-chlorophenyl)sulfanylpropanamide
CID 126335040
N-[(1-benzylpiperidin-4-ylidene)amino]-3,4,5-triethoxybenzamide
CID 4244582
N-[(1-benzylpiperidin-4-ylidene)amino]-4-(phenoxymethyl)benzamide
CID 8518184
N-[(1-benzylpiperidin-4-ylidene)amino]-3-chloro-6-methyl-1-benzothiophene-2-carboxamide
CID 5058858
N-[(1-benzylpiperidin-4-ylidene)amino]-4-chlorobenzenesulfonamide
CID 3438181
[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2,4-dichlorobenzoate
CID 55476319

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-dichlorobenzamide?
The IUPAC name of N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-dichlorobenzamide (CID 1219274) is N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-dichlorobenzamide.
What is the SMILES notation for N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-dichlorobenzamide?
The canonical SMILES for N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-dichlorobenzamide is O=C(NN=C1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-dichlorobenzamide?
The InChIKey is YVFUOFDSERSMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O/c20-15-6-7-17(18(21)12-15)19(25)23-22-16-8-10-24(11-9-16)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,23,25).
What are the key properties of N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-dichlorobenzamide?
N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-dichlorobenzamide has a molecular weight of 376.29 g/mol, XLogP of 4.38, 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-dichlorobenzamide is sourced from PubChem (CID 1219274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).