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

C20H26N6O2 — CID 122254637

IUPAC4-acetyl-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide
SMILESCC(=O)c1ccc(C(=O)NCc2nc(N(C)C)nc(N3CCCCC3)n2)cc1
InChIInChI=1S/C20H26N6O2/c1-14(27)15-7-9-16(10-8-15)18(28)21-13-17-22-19(25(2)3)24-20(23-17)26-11-5-4-6-12-26/h7-10H,4-6,11-13H2,1-3H3,(H,21,28)
InChIKeyCSTNNSUVUFSDCT-UHFFFAOYSA-N
MW382.47 g/mol
LogP2.06
Rot. Bonds6

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

4-acetyl-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide (PubChem CID 122254637) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 4-acetyl-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-acetyl-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide
PubChem CID122254637
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name4-acetyl-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide
SMILESCC(=O)c1ccc(C(=O)NCc2nc(N(C)C)nc(N3CCCCC3)n2)cc1
InChIInChI=1S/C20H26N6O2/c1-14(27)15-7-9-16(10-8-15)18(28)21-13-17-22-19(25(2)3)24-20(23-17)26-11-5-4-6-12-26/h7-10H,4-6,11-13H2,1-3H3,(H,21,28)
InChIKeyCSTNNSUVUFSDCT-UHFFFAOYSA-N
XLogP2.06
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-acetyl-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide with MolForge

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Related Compounds

N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]quinoxaline-6-carboxamide
CID 122254344
3-(dimethylamino)-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide
CID 122254570
N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 122254535
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]thiophene-3-carboxamide
CID 122254265
N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-6-ethoxypyridine-3-carboxamide
CID 122254625
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-4-thiophen-2-ylbenzamide
CID 122254324
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-3-methylbenzamide
CID 122254152
3-(dimethylamino)-N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide
CID 122254297
5-chloro-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]thiophene-2-carboxamide
CID 122254573
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]thiophene-2-carboxamide
CID 122254172
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 122254271
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2,3,4-trifluorobenzamide
CID 122254319

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide?
The IUPAC name of 4-acetyl-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide (CID 122254637) is 4-acetyl-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide.
What is the SMILES notation for 4-acetyl-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide?
The canonical SMILES for 4-acetyl-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide is CC(=O)c1ccc(C(=O)NCc2nc(N(C)C)nc(N3CCCCC3)n2)cc1.
What is the InChIKey of 4-acetyl-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide?
The InChIKey is CSTNNSUVUFSDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-14(27)15-7-9-16(10-8-15)18(28)21-13-17-22-19(25(2)3)24-20(23-17)26-11-5-4-6-12-26/h7-10H,4-6,11-13H2,1-3H3,(H,21,28).
What are the key properties of 4-acetyl-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide?
4-acetyl-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide has a molecular weight of 382.47 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide is sourced from PubChem (CID 122254637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).