4-[(3,4-dichlorophenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide

C23H26Cl2N2O — CID 11796211

IUPAC4-[(3,4-dichlorophenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C23H26Cl2N2O/c1-3-27(4-2)23(28)18-7-5-16(6-8-18)22(17-11-13-26-14-12-17)19-9-10-20(24)21(25)15-19/h5-10,15,26H,3-4,11-14H2,1-2H3
InChIKeyGLUXRABXTHAEQS-UHFFFAOYSA-N
MW417.38 g/mol
LogP5.66
Rot. Bonds5

About 4-[(3,4-dichlorophenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide

4-[(3,4-dichlorophenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide (PubChem CID 11796211) has the molecular formula C23H26Cl2N2O and a molecular weight of 417.38 g/mol. Its IUPAC name is 4-[(3,4-dichlorophenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[(3,4-dichlorophenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide
PubChem CID11796211
Molecular FormulaC23H26Cl2N2O
Molecular Weight417.38 g/mol
Exact Mass416.14
IUPAC Name4-[(3,4-dichlorophenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C23H26Cl2N2O/c1-3-27(4-2)23(28)18-7-5-16(6-8-18)22(17-11-13-26-14-12-17)19-9-10-20(24)21(25)15-19/h5-10,15,26H,3-4,11-14H2,1-2H3
InChIKeyGLUXRABXTHAEQS-UHFFFAOYSA-N
XLogP5.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.38
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dichlorophenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide?
The IUPAC name of 4-[(3,4-dichlorophenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide (CID 11796211) is 4-[(3,4-dichlorophenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[(3,4-dichlorophenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide?
The canonical SMILES for 4-[(3,4-dichlorophenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 4-[(3,4-dichlorophenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide?
The InChIKey is GLUXRABXTHAEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N2O/c1-3-27(4-2)23(28)18-7-5-16(6-8-18)22(17-11-13-26-14-12-17)19-9-10-20(24)21(25)15-19/h5-10,15,26H,3-4,11-14H2,1-2H3.
What are the key properties of 4-[(3,4-dichlorophenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide?
4-[(3,4-dichlorophenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide has a molecular weight of 417.38 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dichlorophenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide is sourced from PubChem (CID 11796211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).