N-[3-[[4-(4-hydroxy-4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide

C22H24N6O2 — CID 53362166

IUPACN-[3-[[4-(4-hydroxy-4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncnc(N3CCC(O)(c4ccccc4)CC3)n2)c1
InChIInChI=1S/C22H24N6O2/c1-16(29)25-18-8-5-9-19(14-18)26-20-23-15-24-21(27-20)28-12-10-22(30,11-13-28)17-6-3-2-4-7-17/h2-9,14-15,30H,10-13H2,1H3,(H,25,29)(H,23,24,26,27)
InChIKeyDOBTZEMTIKADQS-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.06
Rot. Bonds5

About N-[3-[[4-(4-hydroxy-4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide

N-[3-[[4-(4-hydroxy-4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide (PubChem CID 53362166) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[3-[[4-(4-hydroxy-4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[4-(4-hydroxy-4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
PubChem CID53362166
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC NameN-[3-[[4-(4-hydroxy-4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncnc(N3CCC(O)(c4ccccc4)CC3)n2)c1
InChIInChI=1S/C22H24N6O2/c1-16(29)25-18-8-5-9-19(14-18)26-20-23-15-24-21(27-20)28-12-10-22(30,11-13-28)17-6-3-2-4-7-17/h2-9,14-15,30H,10-13H2,1H3,(H,25,29)(H,23,24,26,27)
InChIKeyDOBTZEMTIKADQS-UHFFFAOYSA-N
XLogP3.06
TPSA103.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[[4-(4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 45136898
N-[2-methyl-3-[[4-(4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 53362171
N-[2-methyl-3-[[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 53362500
N-[2-methyl-3-[[4-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 53362501
N-[2-methyl-3-[[4-[4-[(4-propan-2-ylphenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 53362502
N-[3-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 53362973
N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 53362169
N-[2-methyl-3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 53362170
N-[3-[[4-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide
CID 53362439
N-[3-[[4-[4-[(3-fluorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide
CID 53362440
N-[3-[[4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide
CID 53362441
N-[2-methyl-3-[[4-[4-[[2-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 53362442

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(4-hydroxy-4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[4-(4-hydroxy-4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide (CID 53362166) is N-[3-[[4-(4-hydroxy-4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[4-(4-hydroxy-4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[4-(4-hydroxy-4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2ncnc(N3CCC(O)(c4ccccc4)CC3)n2)c1.
What is the InChIKey of N-[3-[[4-(4-hydroxy-4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The InChIKey is DOBTZEMTIKADQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-16(29)25-18-8-5-9-19(14-18)26-20-23-15-24-21(27-20)28-12-10-22(30,11-13-28)17-6-3-2-4-7-17/h2-9,14-15,30H,10-13H2,1H3,(H,25,29)(H,23,24,26,27).
What are the key properties of N-[3-[[4-(4-hydroxy-4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
N-[3-[[4-(4-hydroxy-4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide has a molecular weight of 404.47 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(4-hydroxy-4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 53362166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).