4-[(4-chlorophenyl)-piperazin-1-ylmethyl]-N,N-diethylbenzamide

C22H28ClN3O — CID 10786358

IUPAC4-[(4-chlorophenyl)-piperazin-1-ylmethyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C(c2ccc(Cl)cc2)N2CCNCC2)cc1
InChIInChI=1S/C22H28ClN3O/c1-3-25(4-2)22(27)19-7-5-17(6-8-19)21(26-15-13-24-14-16-26)18-9-11-20(23)12-10-18/h5-12,21,24H,3-4,13-16H2,1-2H3
InChIKeyWGQLQLVNMRNWRA-UHFFFAOYSA-N
MW385.94 g/mol
LogP3.82
Rot. Bonds6

About 4-[(4-chlorophenyl)-piperazin-1-ylmethyl]-N,N-diethylbenzamide

4-[(4-chlorophenyl)-piperazin-1-ylmethyl]-N,N-diethylbenzamide (PubChem CID 10786358) has the molecular formula C22H28ClN3O and a molecular weight of 385.94 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)-piperazin-1-ylmethyl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)-piperazin-1-ylmethyl]-N,N-diethylbenzamide
PubChem CID10786358
Molecular FormulaC22H28ClN3O
Molecular Weight385.94 g/mol
Exact Mass385.19
IUPAC Name4-[(4-chlorophenyl)-piperazin-1-ylmethyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C(c2ccc(Cl)cc2)N2CCNCC2)cc1
InChIInChI=1S/C22H28ClN3O/c1-3-25(4-2)22(27)19-7-5-17(6-8-19)21(26-15-13-24-14-16-26)18-9-11-20(23)12-10-18/h5-12,21,24H,3-4,13-16H2,1-2H3
InChIKeyWGQLQLVNMRNWRA-UHFFFAOYSA-N
XLogP3.82
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.94
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-4-[(4-methylphenyl)-piperazin-1-ylmethyl]benzamide
CID 10618862
N,N-diethyl-4-[[3-(N-ethylanilino)phenyl]-piperazin-1-ylmethyl]benzamide
CID 69341375
methyl N-[3-[(S)-[4-(diethylcarbamoyl)phenyl]-piperazin-1-ylmethyl]phenyl]carbamate
CID 58928490
4-[(R)-[3-(cyclopentylamino)phenyl]-piperazin-1-ylmethyl]-N,N-diethylbenzamide
CID 10410679
ethyl N-[3-[(R)-[4-(diethylcarbamoyl)phenyl]-piperazin-1-ylmethyl]phenyl]carbamate
CID 11669323
N,N-diethyl-4-[(S)-[3-[(2-phenylacetyl)amino]phenyl]-piperazin-1-ylmethyl]benzamide
CID 10345250
N,N-diethyl-4-[(R)-phenyl-(4-propylpiperazin-1-yl)methyl]benzamide
CID 173193948
4-[(4-acetylpiperazin-1-yl)-phenylmethyl]-N,N-diethylbenzamide
CID 10691980
1-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine;dihydrochloride
CID 24745687
4-[(S)-(3-aminophenyl)-(4-methylpiperazin-1-yl)methyl]-N,N-diethylbenzamide
CID 58664222
4-[2-(1,4-diazepan-1-yl)pentyl]-N,N-diethylbenzamide
CID 67647635
N,N-diethyl-4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(3-methylphenyl)methyl]benzamide
CID 67967833

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)-piperazin-1-ylmethyl]-N,N-diethylbenzamide?
The IUPAC name of 4-[(4-chlorophenyl)-piperazin-1-ylmethyl]-N,N-diethylbenzamide (CID 10786358) is 4-[(4-chlorophenyl)-piperazin-1-ylmethyl]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)-piperazin-1-ylmethyl]-N,N-diethylbenzamide?
The canonical SMILES for 4-[(4-chlorophenyl)-piperazin-1-ylmethyl]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(C(c2ccc(Cl)cc2)N2CCNCC2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)-piperazin-1-ylmethyl]-N,N-diethylbenzamide?
The InChIKey is WGQLQLVNMRNWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O/c1-3-25(4-2)22(27)19-7-5-17(6-8-19)21(26-15-13-24-14-16-26)18-9-11-20(23)12-10-18/h5-12,21,24H,3-4,13-16H2,1-2H3.
What are the key properties of 4-[(4-chlorophenyl)-piperazin-1-ylmethyl]-N,N-diethylbenzamide?
4-[(4-chlorophenyl)-piperazin-1-ylmethyl]-N,N-diethylbenzamide has a molecular weight of 385.94 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)-piperazin-1-ylmethyl]-N,N-diethylbenzamide is sourced from PubChem (CID 10786358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).