4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzoic acid

C20H26N6O2 — CID 3428209

IUPAC4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1
InChIInChI=1S/C20H26N6O2/c27-17(28)15-7-9-16(10-8-15)21-18-22-19(25-11-3-1-4-12-25)24-20(23-18)26-13-5-2-6-14-26/h7-10H,1-6,11-14H2,(H,27,28)(H,21,22,23,24)
InChIKeyBSROMFKSIHBJEK-UHFFFAOYSA-N
MW382.47 g/mol
LogP3.29
Rot. Bonds5

About 4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzoic acid

4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzoic acid (PubChem CID 3428209) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzoic acid
PubChem CID3428209
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1
InChIInChI=1S/C20H26N6O2/c27-17(28)15-7-9-16(10-8-15)21-18-22-19(25-11-3-1-4-12-25)24-20(23-18)26-13-5-2-6-14-26/h7-10H,1-6,11-14H2,(H,27,28)(H,21,22,23,24)
InChIKeyBSROMFKSIHBJEK-UHFFFAOYSA-N
XLogP3.29
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzoic acid with MolForge

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Related Compounds

4-(3-(4-(4,6-Dimorpholino-1,3,5-triazin-2-yl)phenyl)ureido)benzoic acid
CID 44516307
CID 129285916
CID 129285916
3-[(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid
CID 1078713
Methyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoate;hydrochloride
CID 16810774
3-[(4-Anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]benzoic acid
CID 2068150
4-[[4-(Diethylamino)-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-yl]amino]benzoic acid
CID 129304811
3-[(4,6-Dianilino-1,3,5-triazin-2-yl)amino]benzoic acid
CID 1023730
Ethyl 4-((4,6-dimorpholino-1,3,5-triazin-2-yl)amino)benzoate hydrochloride
CID 18580234
4-(1-Pyrimidin-2-ylpiperidin-4-ylamino)benzoic acid
CID 10661796
4-(4,6-Dichloro-1,3,5-triazin-2-ylamino)benzoic acid
CID 15883640
4-[(Z)-[(Benzylamino)[4-(4-fluorophenyl)piperazin-1-YL]methylidene]amino]benzoic acid
CID 45106998
4-((4-Chloro-6-(piperidin-1-yl)-1,3,5-triazin-2-yl)amino)benzoic acid
CID 129854398

Frequently Asked Questions

What is the IUPAC name of 4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzoic acid?
The IUPAC name of 4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzoic acid (CID 3428209) is 4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzoic acid.
What is the SMILES notation for 4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzoic acid?
The canonical SMILES for 4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzoic acid is O=C(O)c1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1.
What is the InChIKey of 4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzoic acid?
The InChIKey is BSROMFKSIHBJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c27-17(28)15-7-9-16(10-8-15)21-18-22-19(25-11-3-1-4-12-25)24-20(23-18)26-13-5-2-6-14-26/h7-10H,1-6,11-14H2,(H,27,28)(H,21,22,23,24).
What are the key properties of 4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzoic acid?
4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzoic acid has a molecular weight of 382.47 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzoic acid is sourced from PubChem (CID 3428209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).