2-(2-oxo-4-prop-2-enoylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide

C18H23N3O3 — CID 172888877

IUPAC2-(2-oxo-4-prop-2-enoylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
SMILESC=CC(=O)N1CCN(CC(=O)Nc2ccccc2C(C)C)C(=O)C1
InChIInChI=1S/C18H23N3O3/c1-4-17(23)21-10-9-20(18(24)12-21)11-16(22)19-15-8-6-5-7-14(15)13(2)3/h4-8,13H,1,9-12H2,2-3H3,(H,19,22)
InChIKeyQQBKXTBXQKDWLC-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.61
Rot. Bonds5

About 2-(2-oxo-4-prop-2-enoylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide

2-(2-oxo-4-prop-2-enoylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 172888877) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(2-oxo-4-prop-2-enoylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-oxo-4-prop-2-enoylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
PubChem CID172888877
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name2-(2-oxo-4-prop-2-enoylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
SMILESC=CC(=O)N1CCN(CC(=O)Nc2ccccc2C(C)C)C(=O)C1
InChIInChI=1S/C18H23N3O3/c1-4-17(23)21-10-9-20(18(24)12-21)11-16(22)19-15-8-6-5-7-14(15)13(2)3/h4-8,13H,1,9-12H2,2-3H3,(H,19,22)
InChIKeyQQBKXTBXQKDWLC-UHFFFAOYSA-N
XLogP1.61
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 8904308
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 110877789
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 8591952
3-oxo-N-(2-propan-2-ylphenyl)-3-pyrrolidin-1-ylpropanamide
CID 108942028
3-(4-acetylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 109018344
N-(2-propan-2-ylphenyl)prop-2-enamide
CID 23202677
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(2-propan-2-ylphenyl)acetamide
CID 108794886
3-oxo-3-piperidin-1-yl-N-(2-propan-2-ylphenyl)propanamide
CID 108942407
2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 2653936
N-(2-propan-2-ylphenyl)propanamide
CID 723442
2-iodo-N-(2-propan-2-ylphenyl)acetamide
CID 4198881
2-(2-oxo-4-prop-2-enoylpiperazin-1-yl)-N-[6-(trifluoromethoxy)-3-pyridinyl]acetamide
CID 172888874

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-4-prop-2-enoylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(2-oxo-4-prop-2-enoylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide (CID 172888877) is 2-(2-oxo-4-prop-2-enoylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(2-oxo-4-prop-2-enoylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(2-oxo-4-prop-2-enoylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide is C=CC(=O)N1CCN(CC(=O)Nc2ccccc2C(C)C)C(=O)C1.
What is the InChIKey of 2-(2-oxo-4-prop-2-enoylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide?
The InChIKey is QQBKXTBXQKDWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-4-17(23)21-10-9-20(18(24)12-21)11-16(22)19-15-8-6-5-7-14(15)13(2)3/h4-8,13H,1,9-12H2,2-3H3,(H,19,22).
What are the key properties of 2-(2-oxo-4-prop-2-enoylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide?
2-(2-oxo-4-prop-2-enoylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide has a molecular weight of 329.40 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-4-prop-2-enoylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 172888877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).