2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide

C19H31N3O — CID 8582985

IUPAC2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide
SMILESCc1cccc(N2CCN(CC(=O)NCCC(C)C)CC2)c1C
InChIInChI=1S/C19H31N3O/c1-15(2)8-9-20-19(23)14-21-10-12-22(13-11-21)18-7-5-6-16(3)17(18)4/h5-7,15H,8-14H2,1-4H3,(H,20,23)
InChIKeyGDGUEOFEQXCRHJ-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.59
Rot. Bonds6

About 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide

2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide (PubChem CID 8582985) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide
PubChem CID8582985
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide
SMILESCc1cccc(N2CCN(CC(=O)NCCC(C)C)CC2)c1C
InChIInChI=1S/C19H31N3O/c1-15(2)8-9-20-19(23)14-21-10-12-22(13-11-21)18-7-5-6-16(3)17(18)4/h5-7,15H,8-14H2,1-4H3,(H,20,23)
InChIKeyGDGUEOFEQXCRHJ-UHFFFAOYSA-N
XLogP2.59
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide
CID 109004402
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(2R)-pentan-2-yl]acetamide
CID 8582991
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methyl-N-(3-methylbutyl)propanamide
CID 169180327
N-(3-methylbutyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 109002098
N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
CID 6469246
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 9028686
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 40696125
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide
CID 109238474
2-[4-(2-methylphenyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 32720430
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 17438368
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(1R)-1-phenylbutyl]acetamide
CID 9347122
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 46056291

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide (CID 8582985) is 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide is Cc1cccc(N2CCN(CC(=O)NCCC(C)C)CC2)c1C.
What is the InChIKey of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide?
The InChIKey is GDGUEOFEQXCRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-15(2)8-9-20-19(23)14-21-10-12-22(13-11-21)18-7-5-6-16(3)17(18)4/h5-7,15H,8-14H2,1-4H3,(H,20,23).
What are the key properties of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide?
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide has a molecular weight of 317.48 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 8582985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).