N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)acetamide

C20H28N6O — CID 122254556

IUPACN-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCc2nc(N(C)C)nc(N3CCCCC3)n2)c1
InChIInChI=1S/C20H28N6O/c1-15-8-7-9-16(12-15)13-18(27)21-14-17-22-19(25(2)3)24-20(23-17)26-10-5-4-6-11-26/h7-9,12H,4-6,10-11,13-14H2,1-3H3,(H,21,27)
InChIKeyQGOVQKMBOIAIMZ-UHFFFAOYSA-N
MW368.49 g/mol
LogP2.10
Rot. Bonds6

About N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)acetamide

N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)acetamide (PubChem CID 122254556) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)acetamide
PubChem CID122254556
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC NameN-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCc2nc(N(C)C)nc(N3CCCCC3)n2)c1
InChIInChI=1S/C20H28N6O/c1-15-8-7-9-16(12-15)13-18(27)21-14-17-22-19(25(2)3)24-20(23-17)26-10-5-4-6-11-26/h7-9,12H,4-6,10-11,13-14H2,1-3H3,(H,21,27)
InChIKeyQGOVQKMBOIAIMZ-UHFFFAOYSA-N
XLogP2.10
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-3-methylbenzamide
CID 122254152
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)acetamide
CID 121137861
1-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-3-(3-methylphenyl)urea
CID 122254472
3-(dimethylamino)-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide
CID 122254570
3-(dimethylamino)-N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide
CID 122254297
benzyl N-[2-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methylamino]-2-oxoethyl]carbamate
CID 122254330
4-acetyl-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide
CID 122254637
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-phenoxyacetamide
CID 122254169
N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 122254615
N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 121138047
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]thiophene-2-carboxamide
CID 122254172
(E)-N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 122254274

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)acetamide (CID 122254556) is N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)NCc2nc(N(C)C)nc(N3CCCCC3)n2)c1.
What is the InChIKey of N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)acetamide?
The InChIKey is QGOVQKMBOIAIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-15-8-7-9-16(12-15)13-18(27)21-14-17-22-19(25(2)3)24-20(23-17)26-10-5-4-6-11-26/h7-9,12H,4-6,10-11,13-14H2,1-3H3,(H,21,27).
What are the key properties of N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)acetamide?
N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)acetamide has a molecular weight of 368.49 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 122254556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).