2-[4-(3-amino-2-methyl-3-phenylpropanoyl)piperazin-1-yl]-N-phenylacetamide

C22H28N4O2 — CID 119840848

IUPAC2-[4-(3-amino-2-methyl-3-phenylpropanoyl)piperazin-1-yl]-N-phenylacetamide
SMILESCC(C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1)C(N)c1ccccc1
InChIInChI=1S/C22H28N4O2/c1-17(21(23)18-8-4-2-5-9-18)22(28)26-14-12-25(13-15-26)16-20(27)24-19-10-6-3-7-11-19/h2-11,17,21H,12-16,23H2,1H3,(H,24,27)
InChIKeyGJGVAFJCOXYPDH-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.11
Rot. Bonds6

About 2-[4-(3-amino-2-methyl-3-phenylpropanoyl)piperazin-1-yl]-N-phenylacetamide

2-[4-(3-amino-2-methyl-3-phenylpropanoyl)piperazin-1-yl]-N-phenylacetamide (PubChem CID 119840848) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-[4-(3-amino-2-methyl-3-phenylpropanoyl)piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(3-amino-2-methyl-3-phenylpropanoyl)piperazin-1-yl]-N-phenylacetamide
PubChem CID119840848
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name2-[4-(3-amino-2-methyl-3-phenylpropanoyl)piperazin-1-yl]-N-phenylacetamide
SMILESCC(C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1)C(N)c1ccccc1
InChIInChI=1S/C22H28N4O2/c1-17(21(23)18-8-4-2-5-9-18)22(28)26-14-12-25(13-15-26)16-20(27)24-19-10-6-3-7-11-19/h2-11,17,21H,12-16,23H2,1H3,(H,24,27)
InChIKeyGJGVAFJCOXYPDH-UHFFFAOYSA-N
XLogP2.11
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-amino-2-methyl-3-phenylpropanoyl)piperazin-1-yl]-N-benzylacetamide;dihydrochloride
CID 119840173
2-[4-(3-amino-2-methyl-3-phenylpropanoyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 119836370
3-amino-2-methyl-3-phenyl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]propan-1-one
CID 119876007
3-amino-2-methyl-3-phenyl-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one
CID 80549933
2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide;dihydrochloride
CID 120502556
3-amino-2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119840042
2-[4-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazin-1-yl]-N-phenylacetamide
CID 31691823
4-(3-amino-2-methyl-3-phenylpropanoyl)-N-ethylpiperazine-1-carboxamide
CID 119695716
(2S,3S)-3-amino-1-(azocan-1-yl)-2-methyl-3-phenylpropan-1-one
CID 99627539
3-amino-1-(4-benzoylpiperazin-1-yl)-2-methyl-3-phenylpropan-1-one
CID 119683429
2-[4-(4-methylpentanoyl)piperazin-1-yl]-N-phenylacetamide
CID 37280943
3-amino-1-(4-benzoylpiperazin-1-yl)-2-methyl-3-phenylpropan-1-one;hydrochloride
CID 119683428

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-amino-2-methyl-3-phenylpropanoyl)piperazin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-(3-amino-2-methyl-3-phenylpropanoyl)piperazin-1-yl]-N-phenylacetamide (CID 119840848) is 2-[4-(3-amino-2-methyl-3-phenylpropanoyl)piperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-(3-amino-2-methyl-3-phenylpropanoyl)piperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-(3-amino-2-methyl-3-phenylpropanoyl)piperazin-1-yl]-N-phenylacetamide is CC(C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1)C(N)c1ccccc1.
What is the InChIKey of 2-[4-(3-amino-2-methyl-3-phenylpropanoyl)piperazin-1-yl]-N-phenylacetamide?
The InChIKey is GJGVAFJCOXYPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-17(21(23)18-8-4-2-5-9-18)22(28)26-14-12-25(13-15-26)16-20(27)24-19-10-6-3-7-11-19/h2-11,17,21H,12-16,23H2,1H3,(H,24,27).
What are the key properties of 2-[4-(3-amino-2-methyl-3-phenylpropanoyl)piperazin-1-yl]-N-phenylacetamide?
2-[4-(3-amino-2-methyl-3-phenylpropanoyl)piperazin-1-yl]-N-phenylacetamide has a molecular weight of 380.49 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-amino-2-methyl-3-phenylpropanoyl)piperazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 119840848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).