2-[4-(4-oxo-4-phenylbutanoyl)piperazin-1-yl]-N-phenylacetamide

C22H25N3O3 — CID 34435067

IUPAC2-[4-(4-oxo-4-phenylbutanoyl)piperazin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCN(C(=O)CCC(=O)c2ccccc2)CC1)Nc1ccccc1
InChIInChI=1S/C22H25N3O3/c26-20(18-7-3-1-4-8-18)11-12-22(28)25-15-13-24(14-16-25)17-21(27)23-19-9-5-2-6-10-19/h1-10H,11-17H2,(H,23,27)
InChIKeyANNMHVWMFWMQEZ-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.43
Rot. Bonds7

About 2-[4-(4-oxo-4-phenylbutanoyl)piperazin-1-yl]-N-phenylacetamide

2-[4-(4-oxo-4-phenylbutanoyl)piperazin-1-yl]-N-phenylacetamide (PubChem CID 34435067) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-[4-(4-oxo-4-phenylbutanoyl)piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(4-oxo-4-phenylbutanoyl)piperazin-1-yl]-N-phenylacetamide
PubChem CID34435067
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name2-[4-(4-oxo-4-phenylbutanoyl)piperazin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCN(C(=O)CCC(=O)c2ccccc2)CC1)Nc1ccccc1
InChIInChI=1S/C22H25N3O3/c26-20(18-7-3-1-4-8-18)11-12-22(28)25-15-13-24(14-16-25)17-21(27)23-19-9-5-2-6-10-19/h1-10H,11-17H2,(H,23,27)
InChIKeyANNMHVWMFWMQEZ-UHFFFAOYSA-N
XLogP2.43
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[4-(4-methylphenyl)-4-oxobutanoyl]piperazin-1-yl]-N-phenylacetamide
CID 31149030
2-[4-(4-methylpentanoyl)piperazin-1-yl]-N-phenylacetamide
CID 37280943
2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]-N-phenylacetamide
CID 33150190
2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-phenylacetamide
CID 31149436
2-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 30863583
2-[4-[3-(4-methylphenyl)sulfanylpropanoyl]piperazin-1-yl]-N-phenylacetamide
CID 31348719
N-[4-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-4-oxobutan-2-yl]benzamide
CID 46519790
2-[4-[4-(3,4-dimethylphenyl)-4-oxobutanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9405198
2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 31150970
2-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 60503858
4-oxo-N,4-diphenylbutanamide
CID 825307
3-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]propanoic acid
CID 43397416

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-oxo-4-phenylbutanoyl)piperazin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-(4-oxo-4-phenylbutanoyl)piperazin-1-yl]-N-phenylacetamide (CID 34435067) is 2-[4-(4-oxo-4-phenylbutanoyl)piperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-(4-oxo-4-phenylbutanoyl)piperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-(4-oxo-4-phenylbutanoyl)piperazin-1-yl]-N-phenylacetamide is O=C(CN1CCN(C(=O)CCC(=O)c2ccccc2)CC1)Nc1ccccc1.
What is the InChIKey of 2-[4-(4-oxo-4-phenylbutanoyl)piperazin-1-yl]-N-phenylacetamide?
The InChIKey is ANNMHVWMFWMQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c26-20(18-7-3-1-4-8-18)11-12-22(28)25-15-13-24(14-16-25)17-21(27)23-19-9-5-2-6-10-19/h1-10H,11-17H2,(H,23,27).
What are the key properties of 2-[4-(4-oxo-4-phenylbutanoyl)piperazin-1-yl]-N-phenylacetamide?
2-[4-(4-oxo-4-phenylbutanoyl)piperazin-1-yl]-N-phenylacetamide has a molecular weight of 379.46 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-oxo-4-phenylbutanoyl)piperazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 34435067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).