N-[4-[(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-hydroxyphenyl]-4-methylbenzamide

C28H34N6O2 — CID 58865669

IUPACN-[4-[(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-hydroxyphenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Nc3nc(C4CCCCC4)nc(N4CCCCC4)n3)cc2O)cc1
InChIInChI=1S/C28H34N6O2/c1-19-10-12-21(13-11-19)26(36)30-23-15-14-22(18-24(23)35)29-27-31-25(20-8-4-2-5-9-20)32-28(33-27)34-16-6-3-7-17-34/h10-15,18,20,35H,2-9,16-17H2,1H3,(H,30,36)(H,29,31,32,33)
InChIKeyKSQNXUZDZDGESP-UHFFFAOYSA-N
MW486.62 g/mol
LogP5.92
Rot. Bonds6

About N-[4-[(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-hydroxyphenyl]-4-methylbenzamide

N-[4-[(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-hydroxyphenyl]-4-methylbenzamide (PubChem CID 58865669) has the molecular formula C28H34N6O2 and a molecular weight of 486.62 g/mol. Its IUPAC name is N-[4-[(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-hydroxyphenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-[(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-hydroxyphenyl]-4-methylbenzamide
PubChem CID58865669
Molecular FormulaC28H34N6O2
Molecular Weight486.62 g/mol
Exact Mass486.27
IUPAC NameN-[4-[(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-hydroxyphenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Nc3nc(C4CCCCC4)nc(N4CCCCC4)n3)cc2O)cc1
InChIInChI=1S/C28H34N6O2/c1-19-10-12-21(13-11-19)26(36)30-23-15-14-22(18-24(23)35)29-27-31-25(20-8-4-2-5-9-20)32-28(33-27)34-16-6-3-7-17-34/h10-15,18,20,35H,2-9,16-17H2,1H3,(H,30,36)(H,29,31,32,33)
InChIKeyKSQNXUZDZDGESP-UHFFFAOYSA-N
XLogP5.92
TPSA103.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.62
LogP ≤ 55.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[4-[(3R,5S)-3,5-diaminopiperidin-1-yl]-6-[(3R)-3-hydroxypiperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-4-methylbenzamide
CID 58949120
N-[4-[[4-(3-aminoazetidin-1-yl)-6-(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-4-methylbenzamide;hydrochloride
CID 169429244
4-chloro-N-[2-hydroxy-4-[(4-piperazin-1-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]benzamide
CID 58865439
3-bromo-N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]benzamide
CID 58865237
N-[4-[[4-[(3R,5S)-3,5-diaminopiperidin-1-yl]-6-methoxy-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-4-methylbenzamide
CID 21104094
N-[4-[(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]-2,2,2-trifluoroacetamide
CID 58865098
azane;N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-2,4-dihydroxybenzamide
CID 158494109
N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-5-fluoro-2-hydroxybenzamide
CID 58865684
1-[4-[(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]-2-methylguanidine
CID 58865668
N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-2-hydroxy-5-(trifluoromethoxy)benzamide
CID 58865870
N-[4-[[4-[(2S,4S)-2-(aminomethyl)-4-hydroxypyrrolidin-1-yl]-6-[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-4-methylbenzamide
CID 58949100
N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-2-hydroxy-3,4-dimethoxybenzamide
CID 58865719

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-hydroxyphenyl]-4-methylbenzamide?
The IUPAC name of N-[4-[(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-hydroxyphenyl]-4-methylbenzamide (CID 58865669) is N-[4-[(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-hydroxyphenyl]-4-methylbenzamide.
What is the SMILES notation for N-[4-[(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-hydroxyphenyl]-4-methylbenzamide?
The canonical SMILES for N-[4-[(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-hydroxyphenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(Nc3nc(C4CCCCC4)nc(N4CCCCC4)n3)cc2O)cc1.
What is the InChIKey of N-[4-[(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-hydroxyphenyl]-4-methylbenzamide?
The InChIKey is KSQNXUZDZDGESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O2/c1-19-10-12-21(13-11-19)26(36)30-23-15-14-22(18-24(23)35)29-27-31-25(20-8-4-2-5-9-20)32-28(33-27)34-16-6-3-7-17-34/h10-15,18,20,35H,2-9,16-17H2,1H3,(H,30,36)(H,29,31,32,33).
What are the key properties of N-[4-[(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-hydroxyphenyl]-4-methylbenzamide?
N-[4-[(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-hydroxyphenyl]-4-methylbenzamide has a molecular weight of 486.62 g/mol, XLogP of 5.92, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-hydroxyphenyl]-4-methylbenzamide is sourced from PubChem (CID 58865669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).