methyl 4-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]benzoate

C18H23N5O3 — CID 3294110

IUPACmethyl 4-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]benzoate
SMILESCOC(=O)c1ccc(Oc2nc(N(C)C)nc(N3CCCCC3)n2)cc1
InChIInChI=1S/C18H23N5O3/c1-22(2)16-19-17(23-11-5-4-6-12-23)21-18(20-16)26-14-9-7-13(8-10-14)15(24)25-3/h7-10H,4-6,11-12H2,1-3H3
InChIKeyBUMIBHSAAWBUEQ-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.51
Rot. Bonds5

About methyl 4-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]benzoate

methyl 4-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]benzoate (PubChem CID 3294110) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is methyl 4-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]benzoate
PubChem CID3294110
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Namemethyl 4-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]benzoate
SMILESCOC(=O)c1ccc(Oc2nc(N(C)C)nc(N3CCCCC3)n2)cc1
InChIInChI=1S/C18H23N5O3/c1-22(2)16-19-17(23-11-5-4-6-12-23)21-18(20-16)26-14-9-7-13(8-10-14)15(24)25-3/h7-10H,4-6,11-12H2,1-3H3
InChIKeyBUMIBHSAAWBUEQ-UHFFFAOYSA-N
XLogP2.51
TPSA80.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

4-(4-Ethylamino-6-methylsulfanyl-[1,3,5]triazin-2-yloxy)-benzoic acid methyl ester
CID 646307
Methyl 4-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]benzoate
CID 742830
Ethyl 4-{[4-(dimethylamino)-6-(methylthio)-1,3,5-triazin-2-yl]oxy}benzoate
CID 895539
Methyl 4-{[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]oxy}benzoate
CID 969719
4-[[4-(Dimethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]oxy]benzoic acid methyl ester
CID 1302670
Methyl 4-{[4-(diethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]oxy}benzoate
CID 2243514
2-[4-[[4,6-Bis[4-[2-(trimethylazaniumyl)ethoxycarbonyl]phenoxy]-1,3,5-triazin-2-yl]oxy]benzoyl]oxyethyl-trimethylazanium
CID 91885433
Methyl 4-{[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy}benzoate
CID 742833
Methyl 4-{[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy}benzoate
CID 805286
2-Amino-2-oxoethyl 4-{[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy}benzoate
CID 3243755
Ethyl 4-{[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]oxy}benzoate
CID 646098
4-(4-Dimethylamino-6-isopropylamino-[1,3,5]triazin-2-yloxy)-benzoic acid methyl ester
CID 647596

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]benzoate?
The IUPAC name of methyl 4-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]benzoate (CID 3294110) is methyl 4-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]benzoate.
What is the SMILES notation for methyl 4-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]benzoate?
The canonical SMILES for methyl 4-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]benzoate is COC(=O)c1ccc(Oc2nc(N(C)C)nc(N3CCCCC3)n2)cc1.
What is the InChIKey of methyl 4-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]benzoate?
The InChIKey is BUMIBHSAAWBUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-22(2)16-19-17(23-11-5-4-6-12-23)21-18(20-16)26-14-9-7-13(8-10-14)15(24)25-3/h7-10H,4-6,11-12H2,1-3H3.
What are the key properties of methyl 4-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]benzoate?
methyl 4-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]benzoate has a molecular weight of 357.41 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]benzoate is sourced from PubChem (CID 3294110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).