2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide

C23H31N3O — CID 8726239

IUPAC2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCc1ccccc1N1CCN(CC(=O)Nc2c(C)cccc2C(C)C)CC1
InChIInChI=1S/C23H31N3O/c1-17(2)20-10-7-9-19(4)23(20)24-22(27)16-25-12-14-26(15-13-25)21-11-6-5-8-18(21)3/h5-11,17H,12-16H2,1-4H3,(H,24,27)
InChIKeyDKMMVHFZEXXWBZ-UHFFFAOYSA-N
MW365.52 g/mol
LogP4.19
Rot. Bonds5

About 2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide

2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide (PubChem CID 8726239) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
PubChem CID8726239
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCc1ccccc1N1CCN(CC(=O)Nc2c(C)cccc2C(C)C)CC1
InChIInChI=1S/C23H31N3O/c1-17(2)20-10-7-9-19(4)23(20)24-22(27)16-25-12-14-26(15-13-25)21-11-6-5-8-18(21)3/h5-11,17H,12-16H2,1-4H3,(H,24,27)
InChIKeyDKMMVHFZEXXWBZ-UHFFFAOYSA-N
XLogP4.19
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 40696125
2-(4-acetylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 8904334
N-[2,6-di(propan-2-yl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 4797794
2-[4-(2-methylphenyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 32720430
N-(3-fluorophenyl)-2-[4-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9433537
2-[(3aR,5S,6S,7aS)-5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 91829375
N-[(1S)-1-(2-bromophenyl)ethyl]-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 8725812
2-(1,4-diazepan-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
CID 119906370
2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 34425742
N-(2-methyl-6-propan-2-ylphenyl)-2-(4-morpholin-4-ylpiperidin-1-yl)acetamide
CID 91838347
2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 8930637
2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2654094

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide (CID 8726239) is 2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide is Cc1ccccc1N1CCN(CC(=O)Nc2c(C)cccc2C(C)C)CC1.
What is the InChIKey of 2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The InChIKey is DKMMVHFZEXXWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-17(2)20-10-7-9-19(4)23(20)24-22(27)16-25-12-14-26(15-13-25)21-11-6-5-8-18(21)3/h5-11,17H,12-16H2,1-4H3,(H,24,27).
What are the key properties of 2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide has a molecular weight of 365.52 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 8726239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).