2-[4-[2-(diethylamino)-2-phenylacetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide

C26H36N4O2 — CID 56538556

IUPAC2-[4-[2-(diethylamino)-2-phenylacetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCCN(CC)C(C(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1)c1ccccc1
InChIInChI=1S/C26H36N4O2/c1-5-29(6-2)25(22-13-8-7-9-14-22)26(32)30-17-15-28(16-18-30)19-23(31)27-24-20(3)11-10-12-21(24)4/h7-14,25H,5-6,15-19H2,1-4H3,(H,27,31)
InChIKeyVUTVQYBBICHXTL-UHFFFAOYSA-N
MW436.60 g/mol
LogP3.47
Rot. Bonds8

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

2-[4-[2-(diethylamino)-2-phenylacetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 56538556) has the molecular formula C26H36N4O2 and a molecular weight of 436.60 g/mol. Its IUPAC name is 2-[4-[2-(diethylamino)-2-phenylacetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(diethylamino)-2-phenylacetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
PubChem CID56538556
Molecular FormulaC26H36N4O2
Molecular Weight436.60 g/mol
Exact Mass436.28
IUPAC Name2-[4-[2-(diethylamino)-2-phenylacetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCCN(CC)C(C(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1)c1ccccc1
InChIInChI=1S/C26H36N4O2/c1-5-29(6-2)25(22-13-8-7-9-14-22)26(32)30-17-15-28(16-18-30)19-23(31)27-24-20(3)11-10-12-21(24)4/h7-14,25H,5-6,15-19H2,1-4H3,(H,27,31)
InChIKeyVUTVQYBBICHXTL-UHFFFAOYSA-N
XLogP3.47
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(diethylamino)-2-phenylacetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 56546917
N-(2,6-dimethylphenyl)-2-[4-(3-methyl-2-phenylpentanoyl)piperazin-1-yl]acetamide
CID 78798955
N-(2,6-dimethylphenyl)-2-[4-[(2R)-2-methylbutanoyl]piperazin-1-yl]acetamide
CID 30289764
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-(2-hydroxy-2-phenylethyl)piperazin-1-yl]acetamide
CID 45281353
2-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 119952764
2-(diethylamino)-1-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylethanone
CID 56550201
2-[4-[(2R)-2-benzylsulfanylpropanoyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 51959190
N-(2,6-dimethylphenyl)-2-[4-[2-methyl-3-(methylamino)propanoyl]piperazin-1-yl]acetamide
CID 119833398
1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(diethylamino)-2-phenylethanone
CID 56540097
N-(2,6-dimethylphenyl)-2-[4-[2-(4-phenylphenoxy)propanoyl]piperazin-1-yl]acetamide
CID 46407772
N-(2,6-dimethylphenyl)-2-[4-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperazin-1-yl]acetamide
CID 30627443

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(diethylamino)-2-phenylacetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[4-[2-(diethylamino)-2-phenylacetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide (CID 56538556) is 2-[4-[2-(diethylamino)-2-phenylacetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-[2-(diethylamino)-2-phenylacetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[4-[2-(diethylamino)-2-phenylacetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide is CCN(CC)C(C(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1)c1ccccc1.
What is the InChIKey of 2-[4-[2-(diethylamino)-2-phenylacetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is VUTVQYBBICHXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O2/c1-5-29(6-2)25(22-13-8-7-9-14-22)26(32)30-17-15-28(16-18-30)19-23(31)27-24-20(3)11-10-12-21(24)4/h7-14,25H,5-6,15-19H2,1-4H3,(H,27,31).
What are the key properties of 2-[4-[2-(diethylamino)-2-phenylacetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
2-[4-[2-(diethylamino)-2-phenylacetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 436.60 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(diethylamino)-2-phenylacetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 56538556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).