N,N-diethyl-4-[(4-formylphenyl)-piperidin-4-ylidenemethyl]benzamide

C24H28N2O2 — CID 23435917

IUPACN,N-diethyl-4-[(4-formylphenyl)-piperidin-4-ylidenemethyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2ccc(C=O)cc2)cc1
InChIInChI=1S/C24H28N2O2/c1-3-26(4-2)24(28)22-11-9-20(10-12-22)23(21-13-15-25-16-14-21)19-7-5-18(17-27)6-8-19/h5-12,17,25H,3-4,13-16H2,1-2H3
InChIKeyQAHKDXJNXHXXCB-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.17
Rot. Bonds6

About N,N-diethyl-4-[(4-formylphenyl)-piperidin-4-ylidenemethyl]benzamide

N,N-diethyl-4-[(4-formylphenyl)-piperidin-4-ylidenemethyl]benzamide (PubChem CID 23435917) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is N,N-diethyl-4-[(4-formylphenyl)-piperidin-4-ylidenemethyl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[(4-formylphenyl)-piperidin-4-ylidenemethyl]benzamide
PubChem CID23435917
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC NameN,N-diethyl-4-[(4-formylphenyl)-piperidin-4-ylidenemethyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2ccc(C=O)cc2)cc1
InChIInChI=1S/C24H28N2O2/c1-3-26(4-2)24(28)22-11-9-20(10-12-22)23(21-13-15-25-16-14-21)19-7-5-18(17-27)6-8-19/h5-12,17,25H,3-4,13-16H2,1-2H3
InChIKeyQAHKDXJNXHXXCB-UHFFFAOYSA-N
XLogP4.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-4-[phenyl(piperidin-4-ylidene)methyl]benzamide;hydrochloride
CID 76848958
N,N-diethyl-4-[(2-hydrazinylphenyl)-piperidin-4-ylidenemethyl]benzamide
CID 142966960
4-[1-benzofuran-2-yl(piperidin-4-ylidene)methyl]-N,N-diethylbenzamide
CID 23435896
N,N-diethyl-4-[(2-phenylmethoxyphenyl)-piperidin-4-ylidenemethyl]benzamide
CID 11293990
4-[[2-[N-(aminomethyl)anilino]phenyl]-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide
CID 174490910
N,N-diethyl-4-[[2-[(2-phenylacetyl)amino]phenyl]-piperidin-4-ylidenemethyl]benzamide
CID 11431614
4-[[2-(cyclopentanecarbonylamino)phenyl]-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide
CID 11487995
N,N-diethyl-4-[[2-[(2-fluorophenyl)sulfanylamino]phenyl]-piperidin-4-ylidenemethyl]benzamide
CID 142966947
N,N-diethyl-4-[[1-(3-methylbut-2-enyl)piperidin-4-ylidene]-phenylmethyl]benzamide
CID 10549849
N,N-diethyl-4-[[2-[(2-fluorophenyl)sulfonylamino]phenyl]-piperidin-4-ylidenemethyl]benzamide
CID 11421066
4-formyl-N-hexyl-N-pentylbenzamide
CID 59994993
4-[(1-benzylpiperidin-4-ylidene)-(4-chlorophenyl)methyl]-N,N-diethylbenzamide
CID 23435903

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(4-formylphenyl)-piperidin-4-ylidenemethyl]benzamide?
The IUPAC name of N,N-diethyl-4-[(4-formylphenyl)-piperidin-4-ylidenemethyl]benzamide (CID 23435917) is N,N-diethyl-4-[(4-formylphenyl)-piperidin-4-ylidenemethyl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[(4-formylphenyl)-piperidin-4-ylidenemethyl]benzamide?
The canonical SMILES for N,N-diethyl-4-[(4-formylphenyl)-piperidin-4-ylidenemethyl]benzamide is CCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2ccc(C=O)cc2)cc1.
What is the InChIKey of N,N-diethyl-4-[(4-formylphenyl)-piperidin-4-ylidenemethyl]benzamide?
The InChIKey is QAHKDXJNXHXXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-3-26(4-2)24(28)22-11-9-20(10-12-22)23(21-13-15-25-16-14-21)19-7-5-18(17-27)6-8-19/h5-12,17,25H,3-4,13-16H2,1-2H3.
What are the key properties of N,N-diethyl-4-[(4-formylphenyl)-piperidin-4-ylidenemethyl]benzamide?
N,N-diethyl-4-[(4-formylphenyl)-piperidin-4-ylidenemethyl]benzamide has a molecular weight of 376.50 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(4-formylphenyl)-piperidin-4-ylidenemethyl]benzamide is sourced from PubChem (CID 23435917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).