N-[2-(2-methylphenyl)ethyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide

C22H29N3O — CID 112801947

IUPACN-[2-(2-methylphenyl)ethyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide
SMILESCc1ccccc1CCNC(=O)CN1CCN(C)CC1c1ccccc1
InChIInChI=1S/C22H29N3O/c1-18-8-6-7-9-19(18)12-13-23-22(26)17-25-15-14-24(2)16-21(25)20-10-4-3-5-11-20/h3-11,21H,12-17H2,1-2H3,(H,23,26)
InChIKeyFRGVZUSZJISLNQ-UHFFFAOYSA-N
MW351.49 g/mol
LogP2.64
Rot. Bonds6

About N-[2-(2-methylphenyl)ethyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide

N-[2-(2-methylphenyl)ethyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide (PubChem CID 112801947) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)ethyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)ethyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide
PubChem CID112801947
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC NameN-[2-(2-methylphenyl)ethyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide
SMILESCc1ccccc1CCNC(=O)CN1CCN(C)CC1c1ccccc1
InChIInChI=1S/C22H29N3O/c1-18-8-6-7-9-19(18)12-13-23-22(26)17-25-15-14-24(2)16-21(25)20-10-4-3-5-11-20/h3-11,21H,12-17H2,1-2H3,(H,23,26)
InChIKeyFRGVZUSZJISLNQ-UHFFFAOYSA-N
XLogP2.64
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(2-methylphenyl)methyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide
CID 112801973
N-[2-(2-methylphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95333668
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide
CID 112801951
N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]-3-phenylpropanamide
CID 37295921
2-(2-methoxyphenyl)-N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]acetamide
CID 37295525
1-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904533
2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 120758613
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 47010786
N-(4-chlorophenyl)-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide
CID 112801852
N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 55939655
3,3-dimethyl-1-(4-methyl-2-phenylpiperazin-1-yl)butan-2-one
CID 43229060
N-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide
CID 46957686

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)ethyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide?
The IUPAC name of N-[2-(2-methylphenyl)ethyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide (CID 112801947) is N-[2-(2-methylphenyl)ethyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(2-methylphenyl)ethyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[2-(2-methylphenyl)ethyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide is Cc1ccccc1CCNC(=O)CN1CCN(C)CC1c1ccccc1.
What is the InChIKey of N-[2-(2-methylphenyl)ethyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide?
The InChIKey is FRGVZUSZJISLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-18-8-6-7-9-19(18)12-13-23-22(26)17-25-15-14-24(2)16-21(25)20-10-4-3-5-11-20/h3-11,21H,12-17H2,1-2H3,(H,23,26).
What are the key properties of N-[2-(2-methylphenyl)ethyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide?
N-[2-(2-methylphenyl)ethyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide has a molecular weight of 351.49 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)ethyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 112801947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).