3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide

C20H24ClN3O — CID 120771242

IUPAC3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(CN2CCNCC2c2cccc(Cl)c2)c1
InChIInChI=1S/C20H24ClN3O/c1-23(2)20(25)17-7-3-5-15(11-17)14-24-10-9-22-13-19(24)16-6-4-8-18(21)12-16/h3-8,11-12,19,22H,9-10,13-14H2,1-2H3
InChIKeyYYLNEROWFWDXRV-UHFFFAOYSA-N
MW357.89 g/mol
LogP3.19
Rot. Bonds4

About 3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide

3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide (PubChem CID 120771242) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is 3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide
PubChem CID120771242
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC Name3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(CN2CCNCC2c2cccc(Cl)c2)c1
InChIInChI=1S/C20H24ClN3O/c1-23(2)20(25)17-7-3-5-15(11-17)14-24-10-9-22-13-19(24)16-6-4-8-18(21)12-16/h3-8,11-12,19,22H,9-10,13-14H2,1-2H3
InChIKeyYYLNEROWFWDXRV-UHFFFAOYSA-N
XLogP3.19
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide
CID 120771182
3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]phenol;hydrochloride
CID 120780112
N-benzyl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 120771028
2-(3-chlorophenyl)-1-(pyridin-3-ylmethyl)piperazine
CID 120780257
2-[2-(3-chlorophenyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 120770819
2-[[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-N,N-dimethylpropanamide
CID 120770920
2-(3-chlorophenyl)-1-[(4-methoxy-3-nitrophenyl)methyl]piperazine
CID 120771010
2-(3-chlorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine
CID 120780051
2-(3-chlorophenyl)-1-[(1-propylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120780194
2-[2-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide
CID 120770707
2-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120780146
2-(3-chlorophenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine
CID 120780185

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide (CID 120771242) is 3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(CN2CCNCC2c2cccc(Cl)c2)c1.
What is the InChIKey of 3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide?
The InChIKey is YYLNEROWFWDXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O/c1-23(2)20(25)17-7-3-5-15(11-17)14-24-10-9-22-13-19(24)16-6-4-8-18(21)12-16/h3-8,11-12,19,22H,9-10,13-14H2,1-2H3.
What are the key properties of 3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide?
3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide has a molecular weight of 357.89 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 120771242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).