N-[(1-benzylpiperidin-4-ylidene)amino]-3,4,5-triethoxybenzamide

C25H33N3O4 — CID 4244582

IUPACN-[(1-benzylpiperidin-4-ylidene)amino]-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)NN=C2CCN(Cc3ccccc3)CC2)cc(OCC)c1OCC
InChIInChI=1S/C25H33N3O4/c1-4-30-22-16-20(17-23(31-5-2)24(22)32-6-3)25(29)27-26-21-12-14-28(15-13-21)18-19-10-8-7-9-11-19/h7-11,16-17H,4-6,12-15,18H2,1-3H3,(H,27,29)
InChIKeyXWPHWTNZJGEEFL-UHFFFAOYSA-N
MW439.56 g/mol
LogP4.26
Rot. Bonds10

About N-[(1-benzylpiperidin-4-ylidene)amino]-3,4,5-triethoxybenzamide

N-[(1-benzylpiperidin-4-ylidene)amino]-3,4,5-triethoxybenzamide (PubChem CID 4244582) has the molecular formula C25H33N3O4 and a molecular weight of 439.56 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-ylidene)amino]-3,4,5-triethoxybenzamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-ylidene)amino]-3,4,5-triethoxybenzamide
PubChem CID4244582
Molecular FormulaC25H33N3O4
Molecular Weight439.56 g/mol
Exact Mass439.25
IUPAC NameN-[(1-benzylpiperidin-4-ylidene)amino]-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)NN=C2CCN(Cc3ccccc3)CC2)cc(OCC)c1OCC
InChIInChI=1S/C25H33N3O4/c1-4-30-22-16-20(17-23(31-5-2)24(22)32-6-3)25(29)27-26-21-12-14-28(15-13-21)18-19-10-8-7-9-11-19/h7-11,16-17H,4-6,12-15,18H2,1-3H3,(H,27,29)
InChIKeyXWPHWTNZJGEEFL-UHFFFAOYSA-N
XLogP4.26
TPSA72.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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]benzamide
CID 746769
N-[(1-benzylpiperidin-4-ylidene)amino]-4-(phenoxymethyl)benzamide
CID 8518184
3,4,5-triethoxy-N-[(4-methylcyclohexylidene)amino]benzamide
CID 5102951
4-benzyl-N-(3,4,5-triethoxyphenyl)piperazine-1-carboxamide
CID 108869729
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]-2,4-dichlorobenzamide
CID 1219274
3,4,5-triethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
CID 2945862
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-benzylpiperidin-4-ylidene)amino]-4-bromo-1H-pyrrole-2-carboxamide
CID 8982682

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-ylidene)amino]-3,4,5-triethoxybenzamide?
The IUPAC name of N-[(1-benzylpiperidin-4-ylidene)amino]-3,4,5-triethoxybenzamide (CID 4244582) is N-[(1-benzylpiperidin-4-ylidene)amino]-3,4,5-triethoxybenzamide.
What is the SMILES notation for N-[(1-benzylpiperidin-4-ylidene)amino]-3,4,5-triethoxybenzamide?
The canonical SMILES for N-[(1-benzylpiperidin-4-ylidene)amino]-3,4,5-triethoxybenzamide is CCOc1cc(C(=O)NN=C2CCN(Cc3ccccc3)CC2)cc(OCC)c1OCC.
What is the InChIKey of N-[(1-benzylpiperidin-4-ylidene)amino]-3,4,5-triethoxybenzamide?
The InChIKey is XWPHWTNZJGEEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4/c1-4-30-22-16-20(17-23(31-5-2)24(22)32-6-3)25(29)27-26-21-12-14-28(15-13-21)18-19-10-8-7-9-11-19/h7-11,16-17H,4-6,12-15,18H2,1-3H3,(H,27,29).
What are the key properties of N-[(1-benzylpiperidin-4-ylidene)amino]-3,4,5-triethoxybenzamide?
N-[(1-benzylpiperidin-4-ylidene)amino]-3,4,5-triethoxybenzamide has a molecular weight of 439.56 g/mol, XLogP of 4.26, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-ylidene)amino]-3,4,5-triethoxybenzamide is sourced from PubChem (CID 4244582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).