2-[4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-N-phenylacetamide

C20H29N7O — CID 133433238

IUPAC2-[4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-N-phenylacetamide
SMILESCC(C)c1nc(N(C)C)nc(N2CCN(CC(=O)Nc3ccccc3)CC2)n1
InChIInChI=1S/C20H29N7O/c1-15(2)18-22-19(25(3)4)24-20(23-18)27-12-10-26(11-13-27)14-17(28)21-16-8-6-5-7-9-16/h5-9,15H,10-14H2,1-4H3,(H,21,28)
InChIKeyJNHMXYNBTBXNCD-UHFFFAOYSA-N
MW383.50 g/mol
LogP1.82
Rot. Bonds6

About 2-[4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-N-phenylacetamide

2-[4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-N-phenylacetamide (PubChem CID 133433238) has the molecular formula C20H29N7O and a molecular weight of 383.50 g/mol. Its IUPAC name is 2-[4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-N-phenylacetamide
PubChem CID133433238
Molecular FormulaC20H29N7O
Molecular Weight383.50 g/mol
Exact Mass383.24
IUPAC Name2-[4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-N-phenylacetamide
SMILESCC(C)c1nc(N(C)C)nc(N2CCN(CC(=O)Nc3ccccc3)CC2)n1
InChIInChI=1S/C20H29N7O/c1-15(2)18-22-19(25(3)4)24-20(23-18)27-12-10-26(11-13-27)14-17(28)21-16-8-6-5-7-9-16/h5-9,15H,10-14H2,1-4H3,(H,21,28)
InChIKeyJNHMXYNBTBXNCD-UHFFFAOYSA-N
XLogP1.82
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 133416214
2-[4-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperazin-1-yl]-N-phenylacetamide
CID 31691698
N-[4-(diethylamino)phenyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 24507299
2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]propanoic acid
CID 62310082
2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(3-phenoxyphenyl)acetamide
CID 55432259
N-phenyl-2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]acetamide
CID 133370977
N-phenyl-2-[4-(4-phenylbutan-2-yl)piperazin-1-yl]acetamide
CID 55917102
N-(4-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6465380
2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-N-phenylacetamide
CID 134017909
[4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 133418335
2-[4-(4-methylpentanoyl)piperazin-1-yl]-N-phenylacetamide
CID 37280943
2-[4-(3-amino-2-methyl-3-phenylpropanoyl)piperazin-1-yl]-N-phenylacetamide
CID 119840848

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-N-phenylacetamide (CID 133433238) is 2-[4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-N-phenylacetamide is CC(C)c1nc(N(C)C)nc(N2CCN(CC(=O)Nc3ccccc3)CC2)n1.
What is the InChIKey of 2-[4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-N-phenylacetamide?
The InChIKey is JNHMXYNBTBXNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7O/c1-15(2)18-22-19(25(3)4)24-20(23-18)27-12-10-26(11-13-27)14-17(28)21-16-8-6-5-7-9-16/h5-9,15H,10-14H2,1-4H3,(H,21,28).
What are the key properties of 2-[4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-N-phenylacetamide?
2-[4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-N-phenylacetamide has a molecular weight of 383.50 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 133433238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).