4-[(4-chlorophenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide

C23H27ClN2O — CID 10714960

IUPAC4-[(4-chlorophenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H27ClN2O/c1-3-26(4-2)23(27)20-7-5-17(6-8-20)22(19-13-15-25-16-14-19)18-9-11-21(24)12-10-18/h5-12,25H,3-4,13-16H2,1-2H3
InChIKeyHTVVGBNPROJDLV-UHFFFAOYSA-N
MW382.94 g/mol
LogP5.01
Rot. Bonds5

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

4-[(4-chlorophenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide (PubChem CID 10714960) has the molecular formula C23H27ClN2O and a molecular weight of 382.94 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide
PubChem CID10714960
Molecular FormulaC23H27ClN2O
Molecular Weight382.94 g/mol
Exact Mass382.18
IUPAC Name4-[(4-chlorophenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H27ClN2O/c1-3-26(4-2)23(27)20-7-5-17(6-8-20)22(19-13-15-25-16-14-19)18-9-11-21(24)12-10-18/h5-12,25H,3-4,13-16H2,1-2H3
InChIKeyHTVVGBNPROJDLV-UHFFFAOYSA-N
XLogP5.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.94
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide?
The IUPAC name of 4-[(4-chlorophenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide (CID 10714960) is 4-[(4-chlorophenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide?
The canonical SMILES for 4-[(4-chlorophenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide?
The InChIKey is HTVVGBNPROJDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O/c1-3-26(4-2)23(27)20-7-5-17(6-8-20)22(19-13-15-25-16-14-19)18-9-11-21(24)12-10-18/h5-12,25H,3-4,13-16H2,1-2H3.
What are the key properties of 4-[(4-chlorophenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide?
4-[(4-chlorophenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide has a molecular weight of 382.94 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide is sourced from PubChem (CID 10714960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).