2-[4-(2-amino-2-phenylpropanoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide

C23H30N4O2 — CID 120594763

IUPAC2-[4-(2-amino-2-phenylpropanoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN1CCN(C(=O)C(C)(N)c2ccccc2)CC1
InChIInChI=1S/C23H30N4O2/c1-17-8-7-9-18(2)21(17)25-20(28)16-26-12-14-27(15-13-26)22(29)23(3,24)19-10-5-4-6-11-19/h4-11H,12-16,24H2,1-3H3,(H,25,28)
InChIKeyFUNGRZWDBSQBBO-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.26
Rot. Bonds5

About 2-[4-(2-amino-2-phenylpropanoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide

2-[4-(2-amino-2-phenylpropanoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 120594763) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-[4-(2-amino-2-phenylpropanoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-amino-2-phenylpropanoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
PubChem CID120594763
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name2-[4-(2-amino-2-phenylpropanoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN1CCN(C(=O)C(C)(N)c2ccccc2)CC1
InChIInChI=1S/C23H30N4O2/c1-17-8-7-9-18(2)21(17)25-20(28)16-26-12-14-27(15-13-26)22(29)23(3,24)19-10-5-4-6-11-19/h4-11H,12-16,24H2,1-3H3,(H,25,28)
InChIKeyFUNGRZWDBSQBBO-UHFFFAOYSA-N
XLogP2.26
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 120594799
4-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]benzamide
CID 27850994
2-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 119952764
2-amino-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-phenylpropan-1-one;dihydrochloride
CID 120594918
N-[4-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]benzamide
CID 134006916
N-(2,6-dimethylphenyl)-2-[4-[(2-methylphenyl)carbamothioyl]piperazin-1-yl]acetamide
CID 9217461
N-(2,6-dimethylphenyl)-2-[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 9435748
N-(2,6-dimethylphenyl)-2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 22107886
2-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 27850854
N-(2,6-dimethylphenyl)-2-[4-[(2R)-2-methylbutanoyl]piperazin-1-yl]acetamide
CID 30289764
N-(2,6-dimethylphenyl)-2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]acetamide
CID 17498739
N-(2,6-dimethylphenyl)-2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]acetamide
CID 45281353

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-2-phenylpropanoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[4-(2-amino-2-phenylpropanoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide (CID 120594763) is 2-[4-(2-amino-2-phenylpropanoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-(2-amino-2-phenylpropanoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[4-(2-amino-2-phenylpropanoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C(C)(N)c2ccccc2)CC1.
What is the InChIKey of 2-[4-(2-amino-2-phenylpropanoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is FUNGRZWDBSQBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-17-8-7-9-18(2)21(17)25-20(28)16-26-12-14-27(15-13-26)22(29)23(3,24)19-10-5-4-6-11-19/h4-11H,12-16,24H2,1-3H3,(H,25,28).
What are the key properties of 2-[4-(2-amino-2-phenylpropanoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
2-[4-(2-amino-2-phenylpropanoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 394.52 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-2-phenylpropanoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 120594763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).