2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide

C21H27N3O — CID 2653936

IUPAC2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccccc1NC(=O)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H27N3O/c1-17(2)19-10-6-7-11-20(19)22-21(25)16-23-12-14-24(15-13-23)18-8-4-3-5-9-18/h3-11,17H,12-16H2,1-2H3,(H,22,25)
InChIKeyXNMJBZIKMTWAFG-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.57
Rot. Bonds5

About 2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide

2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 2653936) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
PubChem CID2653936
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccccc1NC(=O)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H27N3O/c1-17(2)19-10-6-7-11-20(19)22-21(25)16-23-12-14-24(15-13-23)18-8-4-3-5-9-18/h3-11,17H,12-16H2,1-2H3,(H,22,25)
InChIKeyXNMJBZIKMTWAFG-UHFFFAOYSA-N
XLogP3.57
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 109027170
N-[2,6-di(propan-2-yl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 4797794
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 110877789
2-(4-acetylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 8904308
(2S)-2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 9250174
N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 8530293
1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-phenylpiperidine-4-carboxamide
CID 9134290
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 2655486
2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 8759408
N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 8548080
2-(4-methoxyazepan-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 136522491
N-(4-bromo-2-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 5007859

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide (CID 2653936) is 2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide is CC(C)c1ccccc1NC(=O)CN1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide?
The InChIKey is XNMJBZIKMTWAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-17(2)19-10-6-7-11-20(19)22-21(25)16-23-12-14-24(15-13-23)18-8-4-3-5-9-18/h3-11,17H,12-16H2,1-2H3,(H,22,25).
What are the key properties of 2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide?
2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide has a molecular weight of 337.47 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 2653936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).