2-[4-(2-methylphenyl)piperazin-1-yl]-N-propan-2-ylacetamide

C16H25N3O — CID 32720430

IUPAC2-[4-(2-methylphenyl)piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCc1ccccc1N1CCN(CC(=O)NC(C)C)CC1
InChIInChI=1S/C16H25N3O/c1-13(2)17-16(20)12-18-8-10-19(11-9-18)15-7-5-4-6-14(15)3/h4-7,13H,8-12H2,1-3H3,(H,17,20)
InChIKeyNSDGBQXUXJKCGS-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.64
Rot. Bonds4

About 2-[4-(2-methylphenyl)piperazin-1-yl]-N-propan-2-ylacetamide

2-[4-(2-methylphenyl)piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 32720430) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[4-(2-methylphenyl)piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(2-methylphenyl)piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID32720430
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-[4-(2-methylphenyl)piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCc1ccccc1N1CCN(CC(=O)NC(C)C)CC1
InChIInChI=1S/C16H25N3O/c1-13(2)17-16(20)12-18-8-10-19(11-9-18)15-7-5-4-6-14(15)3/h4-7,13H,8-12H2,1-3H3,(H,17,20)
InChIKeyNSDGBQXUXJKCGS-UHFFFAOYSA-N
XLogP1.64
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(2-bromophenyl)ethyl]-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 8725812
N-[1-(4-ethylphenyl)ethyl]-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 18086328
2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 8726239
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(2R)-pentan-2-yl]acetamide
CID 8582991
N-cycloheptyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 6469730
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 98755354
methyl 2-[4-(2-methylphenyl)piperazin-1-yl]acetate
CID 22200648
2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 42859076
2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 3088677
2-[4-(2-methylphenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide
CID 23290943
1-(4-methylphenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 51363182
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide
CID 8582985

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylphenyl)piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(2-methylphenyl)piperazin-1-yl]-N-propan-2-ylacetamide (CID 32720430) is 2-[4-(2-methylphenyl)piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(2-methylphenyl)piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(2-methylphenyl)piperazin-1-yl]-N-propan-2-ylacetamide is Cc1ccccc1N1CCN(CC(=O)NC(C)C)CC1.
What is the InChIKey of 2-[4-(2-methylphenyl)piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is NSDGBQXUXJKCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13(2)17-16(20)12-18-8-10-19(11-9-18)15-7-5-4-6-14(15)3/h4-7,13H,8-12H2,1-3H3,(H,17,20).
What are the key properties of 2-[4-(2-methylphenyl)piperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-(2-methylphenyl)piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 275.40 g/mol, XLogP of 1.64, 4 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-propan-2-ylacetamide is sourced from PubChem (CID 32720430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).