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

C19H31N3O — CID 8582991

IUPAC2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(2R)-pentan-2-yl]acetamide
SMILESCCC[C@@H](C)NC(=O)CN1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C19H31N3O/c1-5-7-16(3)20-19(23)14-21-10-12-22(13-11-21)18-9-6-8-15(2)17(18)4/h6,8-9,16H,5,7,10-14H2,1-4H3,(H,20,23)/t16-/m1/s1
InChIKeyWHPJPSZIJXIMSG-MRXNPFEDSA-N
MW317.48 g/mol
LogP2.73
Rot. Bonds6

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

2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(2R)-pentan-2-yl]acetamide (PubChem CID 8582991) 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-[(2R)-pentan-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(2R)-pentan-2-yl]acetamide
PubChem CID8582991
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(2R)-pentan-2-yl]acetamide
SMILESCCC[C@@H](C)NC(=O)CN1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C19H31N3O/c1-5-7-16(3)20-19(23)14-21-10-12-22(13-11-21)18-9-6-8-15(2)17(18)4/h6,8-9,16H,5,7,10-14H2,1-4H3,(H,20,23)/t16-/m1/s1
InChIKeyWHPJPSZIJXIMSG-MRXNPFEDSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(1R)-1-phenylbutyl]acetamide
CID 9347122
N-(2,6-dimethylphenyl)-2-[4-[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl]piperazin-1-yl]acetamide
CID 8744383
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide
CID 8582985
2-[4-(2-methylphenyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 32720430
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 40696125
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpentan-1-one
CID 3296899
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
CID 8582775
N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
CID 6469246
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylpropan-2-amine
CID 55135743
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 8529187
N-(3-chloro-2-methylphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
CID 6465296
N-[1-(4-ethylphenyl)ethyl]-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 18086328

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(2R)-pentan-2-yl]acetamide?
The IUPAC name of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(2R)-pentan-2-yl]acetamide (CID 8582991) is 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(2R)-pentan-2-yl]acetamide.
What is the SMILES notation for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(2R)-pentan-2-yl]acetamide?
The canonical SMILES for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(2R)-pentan-2-yl]acetamide is CCC[C@@H](C)NC(=O)CN1CCN(c2cccc(C)c2C)CC1.
What is the InChIKey of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(2R)-pentan-2-yl]acetamide?
The InChIKey is WHPJPSZIJXIMSG-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H31N3O/c1-5-7-16(3)20-19(23)14-21-10-12-22(13-11-21)18-9-6-8-15(2)17(18)4/h6,8-9,16H,5,7,10-14H2,1-4H3,(H,20,23)/t16-/m1/s1.
What are the key properties of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(2R)-pentan-2-yl]acetamide?
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(2R)-pentan-2-yl]acetamide has a molecular weight of 317.48 g/mol, XLogP of 2.73, 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-[(2R)-pentan-2-yl]acetamide is sourced from PubChem (CID 8582991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).