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

C25H30N6O3 — CID 57398398

IUPAC(4-hydroxyphenyl)-[4-[[4-methoxy-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methanone
SMILESCOc1nc(Nc2c(C)cc(C)cc2C)nc(NC2CCN(C(=O)c3ccc(O)cc3)CC2)n1
InChIInChI=1S/C25H30N6O3/c1-15-13-16(2)21(17(3)14-15)27-24-28-23(29-25(30-24)34-4)26-19-9-11-31(12-10-19)22(33)18-5-7-20(32)8-6-18/h5-8,13-14,19,32H,9-12H2,1-4H3,(H2,26,27,28,29,30)
InChIKeyCJVFGYMSGWMJNZ-UHFFFAOYSA-N
MW462.55 g/mol
LogP3.97
Rot. Bonds6

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

(4-hydroxyphenyl)-[4-[[4-methoxy-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methanone (PubChem CID 57398398) has the molecular formula C25H30N6O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is (4-hydroxyphenyl)-[4-[[4-methoxy-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-hydroxyphenyl)-[4-[[4-methoxy-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methanone
PubChem CID57398398
Molecular FormulaC25H30N6O3
Molecular Weight462.55 g/mol
Exact Mass462.24
IUPAC Name(4-hydroxyphenyl)-[4-[[4-methoxy-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methanone
SMILESCOc1nc(Nc2c(C)cc(C)cc2C)nc(NC2CCN(C(=O)c3ccc(O)cc3)CC2)n1
InChIInChI=1S/C25H30N6O3/c1-15-13-16(2)21(17(3)14-15)27-24-28-23(29-25(30-24)34-4)26-19-9-11-31(12-10-19)22(33)18-5-7-20(32)8-6-18/h5-8,13-14,19,32H,9-12H2,1-4H3,(H2,26,27,28,29,30)
InChIKeyCJVFGYMSGWMJNZ-UHFFFAOYSA-N
XLogP3.97
TPSA112.50 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)-[4-[[4-methoxy-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methanone?
The IUPAC name of (4-hydroxyphenyl)-[4-[[4-methoxy-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methanone (CID 57398398) is (4-hydroxyphenyl)-[4-[[4-methoxy-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for (4-hydroxyphenyl)-[4-[[4-methoxy-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methanone?
The canonical SMILES for (4-hydroxyphenyl)-[4-[[4-methoxy-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methanone is COc1nc(Nc2c(C)cc(C)cc2C)nc(NC2CCN(C(=O)c3ccc(O)cc3)CC2)n1.
What is the InChIKey of (4-hydroxyphenyl)-[4-[[4-methoxy-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methanone?
The InChIKey is CJVFGYMSGWMJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O3/c1-15-13-16(2)21(17(3)14-15)27-24-28-23(29-25(30-24)34-4)26-19-9-11-31(12-10-19)22(33)18-5-7-20(32)8-6-18/h5-8,13-14,19,32H,9-12H2,1-4H3,(H2,26,27,28,29,30).
What are the key properties of (4-hydroxyphenyl)-[4-[[4-methoxy-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methanone?
(4-hydroxyphenyl)-[4-[[4-methoxy-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methanone has a molecular weight of 462.55 g/mol, XLogP of 3.97, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)-[4-[[4-methoxy-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 57398398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).