2-[4-[2-amino-2-(oxan-4-yl)acetyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide

C21H32N4O3 — CID 120797140

IUPAC2-[4-[2-amino-2-(oxan-4-yl)acetyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2CCN(C(=O)C(N)C3CCOCC3)CC2)c1C
InChIInChI=1S/C21H32N4O3/c1-15-4-3-5-18(16(15)2)23-19(26)14-24-8-10-25(11-9-24)21(27)20(22)17-6-12-28-13-7-17/h3-5,17,20H,6-14,22H2,1-2H3,(H,23,26)
InChIKeyZODVKVRYHAMTAS-UHFFFAOYSA-N
MW388.51 g/mol
LogP1.14
Rot. Bonds5

About 2-[4-[2-amino-2-(oxan-4-yl)acetyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide

2-[4-[2-amino-2-(oxan-4-yl)acetyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 120797140) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-[4-[2-amino-2-(oxan-4-yl)acetyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-amino-2-(oxan-4-yl)acetyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
PubChem CID120797140
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC Name2-[4-[2-amino-2-(oxan-4-yl)acetyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2CCN(C(=O)C(N)C3CCOCC3)CC2)c1C
InChIInChI=1S/C21H32N4O3/c1-15-4-3-5-18(16(15)2)23-19(26)14-24-8-10-25(11-9-24)21(27)20(22)17-6-12-28-13-7-17/h3-5,17,20H,6-14,22H2,1-2H3,(H,23,26)
InChIKeyZODVKVRYHAMTAS-UHFFFAOYSA-N
XLogP1.14
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 755358
N-(2,3-dimethylphenyl)-2-[4-(2-ethylbutanoyl)piperazin-1-yl]acetamide
CID 34983496
2-amino-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone;dihydrochloride
CID 120797085
N-(2,3-dimethylphenyl)-2-[4-(methylcarbamothioyl)piperazin-1-yl]acetamide
CID 9215169
N-(2,3-dimethylphenyl)-2-(4-propanoylpiperazin-1-yl)acetamide
CID 27859826
N-(2,3-dimethylphenyl)-2-[4-(2-morpholin-4-ylethylcarbamothioyl)piperazin-1-yl]acetamide
CID 9215225
2-cyclopropyl-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]acetic acid
CID 136558089
N-(2,3-dimethylphenyl)-2-[4-[2-(oxolan-2-ylmethylamino)acetyl]piperazin-1-yl]acetamide
CID 119833608
N-(2,3-dimethylphenyl)-2-[4-(2-phenoxypropanoyl)piperazin-1-yl]acetamide
CID 18116033
N-(2,3-dimethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923569
2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide;dihydrochloride
CID 119833583
4-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide
CID 37191936

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-amino-2-(oxan-4-yl)acetyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[4-[2-amino-2-(oxan-4-yl)acetyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide (CID 120797140) is 2-[4-[2-amino-2-(oxan-4-yl)acetyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-[2-amino-2-(oxan-4-yl)acetyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[4-[2-amino-2-(oxan-4-yl)acetyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(NC(=O)CN2CCN(C(=O)C(N)C3CCOCC3)CC2)c1C.
What is the InChIKey of 2-[4-[2-amino-2-(oxan-4-yl)acetyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is ZODVKVRYHAMTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-15-4-3-5-18(16(15)2)23-19(26)14-24-8-10-25(11-9-24)21(27)20(22)17-6-12-28-13-7-17/h3-5,17,20H,6-14,22H2,1-2H3,(H,23,26).
What are the key properties of 2-[4-[2-amino-2-(oxan-4-yl)acetyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide?
2-[4-[2-amino-2-(oxan-4-yl)acetyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 388.51 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-amino-2-(oxan-4-yl)acetyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 120797140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).