2-(4-butylpiperazin-1-yl)-N-(2,6-dimethylphenyl)acetamide

C18H29N3O — CID 11666629

IUPAC2-(4-butylpiperazin-1-yl)-N-(2,6-dimethylphenyl)acetamide
SMILESCCCCN1CCN(CC(=O)Nc2c(C)cccc2C)CC1
InChIInChI=1S/C18H29N3O/c1-4-5-9-20-10-12-21(13-11-20)14-17(22)19-18-15(2)7-6-8-16(18)3/h6-8H,4-5,9-14H2,1-3H3,(H,19,22)
InChIKeyBHESGFAOIZWCIQ-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.66
Rot. Bonds6

About 2-(4-butylpiperazin-1-yl)-N-(2,6-dimethylphenyl)acetamide

2-(4-butylpiperazin-1-yl)-N-(2,6-dimethylphenyl)acetamide (PubChem CID 11666629) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-(4-butylpiperazin-1-yl)-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-butylpiperazin-1-yl)-N-(2,6-dimethylphenyl)acetamide
PubChem CID11666629
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name2-(4-butylpiperazin-1-yl)-N-(2,6-dimethylphenyl)acetamide
SMILESCCCCN1CCN(CC(=O)Nc2c(C)cccc2C)CC1
InChIInChI=1S/C18H29N3O/c1-4-5-9-20-10-12-21(13-11-20)14-17(22)19-18-15(2)7-6-8-16(18)3/h6-8H,4-5,9-14H2,1-3H3,(H,19,22)
InChIKeyBHESGFAOIZWCIQ-UHFFFAOYSA-N
XLogP2.66
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-butylpiperazin-1-yl)-N-(2,6-dimethylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(2-acetamidoethyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 8917553
N-(2,6-dimethylphenyl)-2-[4-[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl]piperazin-1-yl]acetamide
CID 8744383
N-(2,6-dimethylphenyl)-4-pentylpiperazine-1-carboxamide
CID 113110798
N-(2,6-dimethylphenyl)-2-[4-[2-(dipropylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 8917545
ethyl (2S)-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanoate
CID 95099547
N-(2,6-dimethylphenyl)-2-[4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-1-yl]acetamide
CID 120982303
N-(2,6-dimethylphenyl)-2-[4-[(2R)-2-methylbutanoyl]piperazin-1-yl]acetamide
CID 30289764
4-butyl-N-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide
CID 113103802
2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 9435760
2-[4-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 8917657
N-(2,6-dimethylphenyl)-2-[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 9435748
N-(2,6-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34731939

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylpiperazin-1-yl)-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-(4-butylpiperazin-1-yl)-N-(2,6-dimethylphenyl)acetamide (CID 11666629) is 2-(4-butylpiperazin-1-yl)-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(4-butylpiperazin-1-yl)-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-(4-butylpiperazin-1-yl)-N-(2,6-dimethylphenyl)acetamide is CCCCN1CCN(CC(=O)Nc2c(C)cccc2C)CC1.
What is the InChIKey of 2-(4-butylpiperazin-1-yl)-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is BHESGFAOIZWCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-4-5-9-20-10-12-21(13-11-20)14-17(22)19-18-15(2)7-6-8-16(18)3/h6-8H,4-5,9-14H2,1-3H3,(H,19,22).
What are the key properties of 2-(4-butylpiperazin-1-yl)-N-(2,6-dimethylphenyl)acetamide?
2-(4-butylpiperazin-1-yl)-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 303.45 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylpiperazin-1-yl)-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 11666629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).