4-[[4-[[4-methoxy-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methyl]benzamide

C26H33N7O2 — CID 70694368

IUPAC4-[[4-[[4-methoxy-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methyl]benzamide
SMILESCOc1nc(Nc2c(C)cc(C)cc2C)nc(NC2CCN(Cc3ccc(C(N)=O)cc3)CC2)n1
InChIInChI=1S/C26H33N7O2/c1-16-13-17(2)22(18(3)14-16)29-25-30-24(31-26(32-25)35-4)28-21-9-11-33(12-10-21)15-19-5-7-20(8-6-19)23(27)34/h5-8,13-14,21H,9-12,15H2,1-4H3,(H2,27,34)(H2,28,29,30,31,32)
InChIKeyGYHMVCKVDSKUKI-UHFFFAOYSA-N
MW475.60 g/mol
LogP3.72
Rot. Bonds8

About 4-[[4-[[4-methoxy-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methyl]benzamide

4-[[4-[[4-methoxy-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methyl]benzamide (PubChem CID 70694368) has the molecular formula C26H33N7O2 and a molecular weight of 475.60 g/mol. Its IUPAC name is 4-[[4-[[4-methoxy-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[4-[[4-methoxy-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methyl]benzamide
PubChem CID70694368
Molecular FormulaC26H33N7O2
Molecular Weight475.60 g/mol
Exact Mass475.27
IUPAC Name4-[[4-[[4-methoxy-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methyl]benzamide
SMILESCOc1nc(Nc2c(C)cc(C)cc2C)nc(NC2CCN(Cc3ccc(C(N)=O)cc3)CC2)n1
InChIInChI=1S/C26H33N7O2/c1-16-13-17(2)22(18(3)14-16)29-25-30-24(31-26(32-25)35-4)28-21-9-11-33(12-10-21)15-19-5-7-20(8-6-19)23(27)34/h5-8,13-14,21H,9-12,15H2,1-4H3,(H2,27,34)(H2,28,29,30,31,32)
InChIKeyGYHMVCKVDSKUKI-UHFFFAOYSA-N
XLogP3.72
TPSA118.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.60
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[4-methoxy-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methyl]benzamide?
The IUPAC name of 4-[[4-[[4-methoxy-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methyl]benzamide (CID 70694368) is 4-[[4-[[4-methoxy-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methyl]benzamide.
What is the SMILES notation for 4-[[4-[[4-methoxy-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methyl]benzamide?
The canonical SMILES for 4-[[4-[[4-methoxy-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methyl]benzamide is COc1nc(Nc2c(C)cc(C)cc2C)nc(NC2CCN(Cc3ccc(C(N)=O)cc3)CC2)n1.
What is the InChIKey of 4-[[4-[[4-methoxy-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methyl]benzamide?
The InChIKey is GYHMVCKVDSKUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O2/c1-16-13-17(2)22(18(3)14-16)29-25-30-24(31-26(32-25)35-4)28-21-9-11-33(12-10-21)15-19-5-7-20(8-6-19)23(27)34/h5-8,13-14,21H,9-12,15H2,1-4H3,(H2,27,34)(H2,28,29,30,31,32).
What are the key properties of 4-[[4-[[4-methoxy-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methyl]benzamide?
4-[[4-[[4-methoxy-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methyl]benzamide has a molecular weight of 475.60 g/mol, XLogP of 3.72, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[[4-methoxy-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methyl]benzamide is sourced from PubChem (CID 70694368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).