N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylpropanamide

C23H31N3O — CID 46056009

IUPACN-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylpropanamide
SMILESCc1cccc(N2CCN(C(C)C(=O)N(C)Cc3ccccc3)CC2)c1C
InChIInChI=1S/C23H31N3O/c1-18-9-8-12-22(19(18)2)26-15-13-25(14-16-26)20(3)23(27)24(4)17-21-10-6-5-7-11-21/h5-12,20H,13-17H2,1-4H3
InChIKeyKARPUQAHLDIYLJ-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.47
Rot. Bonds5

About N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylpropanamide

N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylpropanamide (PubChem CID 46056009) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylpropanamide
PubChem CID46056009
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC NameN-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylpropanamide
SMILESCc1cccc(N2CCN(C(C)C(=O)N(C)Cc3ccccc3)CC2)c1C
InChIInChI=1S/C23H31N3O/c1-18-9-8-12-22(19(18)2)26-15-13-25(14-16-26)20(3)23(27)24(4)17-21-10-6-5-7-11-21/h5-12,20H,13-17H2,1-4H3
InChIKeyKARPUQAHLDIYLJ-UHFFFAOYSA-N
XLogP3.47
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-methyl-2-(4-phenylpiperazin-1-yl)propanamide
CID 42858943
(2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 8582667
(2R)-N-benzyl-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-methylpropanamide
CID 95610823
N-benzyl-N-methyl-2-(4-sulfamoylpiperazin-1-yl)propanamide
CID 86919646
(2R)-N-(benzylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 9460175
N-benzyl-N-methyl-2-(4-methylpiperidin-1-yl)propanamide
CID 134062840
(2R)-N-benzyl-N-methyl-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30738921
N-methyl-N-[(2-methylphenyl)methyl]-2-(4-phenyl-1,4-diazepan-1-yl)propanamide
CID 112843115
N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-ethylacetamide
CID 108998972
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanol
CID 142710465
N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 46662860
(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-prop-2-enylpropanamide
CID 9460029

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylpropanamide?
The IUPAC name of N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylpropanamide (CID 46056009) is N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylpropanamide.
What is the SMILES notation for N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylpropanamide?
The canonical SMILES for N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylpropanamide is Cc1cccc(N2CCN(C(C)C(=O)N(C)Cc3ccccc3)CC2)c1C.
What is the InChIKey of N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylpropanamide?
The InChIKey is KARPUQAHLDIYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-18-9-8-12-22(19(18)2)26-15-13-25(14-16-26)20(3)23(27)24(4)17-21-10-6-5-7-11-21/h5-12,20H,13-17H2,1-4H3.
What are the key properties of N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylpropanamide?
N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylpropanamide has a molecular weight of 365.52 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylpropanamide is sourced from PubChem (CID 46056009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).