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

C27H27N7O — CID 68518229

IUPACN-[3-[[4-[4-(2-phenylphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncnc(N3CCN(c4ccccc4-c4ccccc4)CC3)n2)c1
InChIInChI=1S/C27H27N7O/c1-20(35)30-22-10-7-11-23(18-22)31-26-28-19-29-27(32-26)34-16-14-33(15-17-34)25-13-6-5-12-24(25)21-8-3-2-4-9-21/h2-13,18-19H,14-17H2,1H3,(H,30,35)(H,28,29,31,32)
InChIKeyAIOZAOPGTGZBNG-UHFFFAOYSA-N
MW465.56 g/mol
LogP4.57
Rot. Bonds6

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

N-[3-[[4-[4-(2-phenylphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide (PubChem CID 68518229) has the molecular formula C27H27N7O and a molecular weight of 465.56 g/mol. Its IUPAC name is N-[3-[[4-[4-(2-phenylphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[4-[4-(2-phenylphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
PubChem CID68518229
Molecular FormulaC27H27N7O
Molecular Weight465.56 g/mol
Exact Mass465.23
IUPAC NameN-[3-[[4-[4-(2-phenylphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncnc(N3CCN(c4ccccc4-c4ccccc4)CC3)n2)c1
InChIInChI=1S/C27H27N7O/c1-20(35)30-22-10-7-11-23(18-22)31-26-28-19-29-27(32-26)34-16-14-33(15-17-34)25-13-6-5-12-24(25)21-8-3-2-4-9-21/h2-13,18-19H,14-17H2,1H3,(H,30,35)(H,28,29,31,32)
InChIKeyAIOZAOPGTGZBNG-UHFFFAOYSA-N
XLogP4.57
TPSA86.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[[4-[4-(3-hydroxypropyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 68567236
N-[3-[[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 68522714
N-[3-[[4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 45139121
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-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 90946782
N-[3-[[4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 90704628
2-[4-(3-acetamidoanilino)-1,3,5-triazin-2-yl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 45138093
N-[3-[[4-[4-(4-chloroanilino)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 68559705
ethyl 1-[4-(3-acetamidoanilino)-1,3,5-triazin-2-yl]piperidine-4-carboxylate
CID 68565223
N-[3-[[4-[4-(3-phenylpropoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 45137476
N-[3-[[4-(6-amino-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 68562690
N-[3-[[4-[4-(4-quinolin-8-ylpyrazol-1-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 91576023

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-[4-(2-phenylphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[4-[4-(2-phenylphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide (CID 68518229) is N-[3-[[4-[4-(2-phenylphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[4-[4-(2-phenylphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[4-[4-(2-phenylphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2ncnc(N3CCN(c4ccccc4-c4ccccc4)CC3)n2)c1.
What is the InChIKey of N-[3-[[4-[4-(2-phenylphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The InChIKey is AIOZAOPGTGZBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O/c1-20(35)30-22-10-7-11-23(18-22)31-26-28-19-29-27(32-26)34-16-14-33(15-17-34)25-13-6-5-12-24(25)21-8-3-2-4-9-21/h2-13,18-19H,14-17H2,1H3,(H,30,35)(H,28,29,31,32).
What are the key properties of N-[3-[[4-[4-(2-phenylphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
N-[3-[[4-[4-(2-phenylphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide has a molecular weight of 465.56 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-[4-(2-phenylphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 68518229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).