N,N-diethyl-4-[phenyl(piperidin-4-ylidene)methyl]benzamide;hydrochloride

C23H29ClN2O — CID 76848958

IUPACN,N-diethyl-4-[phenyl(piperidin-4-ylidene)methyl]benzamide;hydrochloride
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2ccccc2)cc1.Cl
InChIInChI=1S/C23H28N2O.ClH/c1-3-25(4-2)23(26)21-12-10-19(11-13-21)22(18-8-6-5-7-9-18)20-14-16-24-17-15-20;/h5-13,24H,3-4,14-17H2,1-2H3;1H
InChIKeyOTXTZCLQEGSAMW-UHFFFAOYSA-N
MW384.95 g/mol
LogP4.78
Rot. Bonds5

About N,N-diethyl-4-[phenyl(piperidin-4-ylidene)methyl]benzamide;hydrochloride

N,N-diethyl-4-[phenyl(piperidin-4-ylidene)methyl]benzamide;hydrochloride (PubChem CID 76848958) has the molecular formula C23H29ClN2O and a molecular weight of 384.95 g/mol. Its IUPAC name is N,N-diethyl-4-[phenyl(piperidin-4-ylidene)methyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN,N-diethyl-4-[phenyl(piperidin-4-ylidene)methyl]benzamide;hydrochloride
PubChem CID76848958
Molecular FormulaC23H29ClN2O
Molecular Weight384.95 g/mol
Exact Mass384.20
IUPAC NameN,N-diethyl-4-[phenyl(piperidin-4-ylidene)methyl]benzamide;hydrochloride
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2ccccc2)cc1.Cl
InChIInChI=1S/C23H28N2O.ClH/c1-3-25(4-2)23(26)21-12-10-19(11-13-21)22(18-8-6-5-7-9-18)20-14-16-24-17-15-20;/h5-13,24H,3-4,14-17H2,1-2H3;1H
InChIKeyOTXTZCLQEGSAMW-UHFFFAOYSA-N
XLogP4.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.95
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-4-[(4-formylphenyl)-piperidin-4-ylidenemethyl]benzamide
CID 23435917
N,N-diethyl-4-[(2-hydrazinylphenyl)-piperidin-4-ylidenemethyl]benzamide
CID 142966960
N,N-diethyl-4-[(2-phenylmethoxyphenyl)-piperidin-4-ylidenemethyl]benzamide
CID 11293990
4-[1-benzofuran-2-yl(piperidin-4-ylidene)methyl]-N,N-diethylbenzamide
CID 23435896
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
N,N-diethyl-4-[[1-(3-methylbut-2-enyl)piperidin-4-ylidene]-phenylmethyl]benzamide
CID 10549849
CID 174412487
CID 174412487
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
4-[(1-benzylpiperidin-4-ylidene)-(4-chlorophenyl)methyl]-N,N-diethylbenzamide
CID 23435903
N,N-diethyl-4-[[2-[(2-fluorophenyl)sulfonylamino]phenyl]-piperidin-4-ylidenemethyl]benzamide
CID 11421066

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[phenyl(piperidin-4-ylidene)methyl]benzamide;hydrochloride?
The IUPAC name of N,N-diethyl-4-[phenyl(piperidin-4-ylidene)methyl]benzamide;hydrochloride (CID 76848958) is N,N-diethyl-4-[phenyl(piperidin-4-ylidene)methyl]benzamide;hydrochloride.
What is the SMILES notation for N,N-diethyl-4-[phenyl(piperidin-4-ylidene)methyl]benzamide;hydrochloride?
The canonical SMILES for N,N-diethyl-4-[phenyl(piperidin-4-ylidene)methyl]benzamide;hydrochloride is CCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2ccccc2)cc1.Cl.
What is the InChIKey of N,N-diethyl-4-[phenyl(piperidin-4-ylidene)methyl]benzamide;hydrochloride?
The InChIKey is OTXTZCLQEGSAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O.ClH/c1-3-25(4-2)23(26)21-12-10-19(11-13-21)22(18-8-6-5-7-9-18)20-14-16-24-17-15-20;/h5-13,24H,3-4,14-17H2,1-2H3;1H.
What are the key properties of N,N-diethyl-4-[phenyl(piperidin-4-ylidene)methyl]benzamide;hydrochloride?
N,N-diethyl-4-[phenyl(piperidin-4-ylidene)methyl]benzamide;hydrochloride has a molecular weight of 384.95 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[phenyl(piperidin-4-ylidene)methyl]benzamide;hydrochloride is sourced from PubChem (CID 76848958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).