N-[2,6-dichloro-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide

C24H23Cl2F3N6O3 — CID 68518354

IUPACN-[2,6-dichloro-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1c(Cl)ccc(Nc2ncnc(N3CCC(OCc4ccc(OC(F)(F)F)cc4)CC3)n2)c1Cl
InChIInChI=1S/C24H23Cl2F3N6O3/c1-14(36)32-21-18(25)6-7-19(20(21)26)33-22-30-13-31-23(34-22)35-10-8-16(9-11-35)37-12-15-2-4-17(5-3-15)38-24(27,28)29/h2-7,13,16H,8-12H2,1H3,(H,32,36)(H,30,31,33,34)
InChIKeyNWKPYCNHLMXECZ-UHFFFAOYSA-N
MW571.39 g/mol
LogP5.96
Rot. Bonds8

About N-[2,6-dichloro-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide

N-[2,6-dichloro-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide (PubChem CID 68518354) has the molecular formula C24H23Cl2F3N6O3 and a molecular weight of 571.39 g/mol. Its IUPAC name is N-[2,6-dichloro-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2,6-dichloro-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
PubChem CID68518354
Molecular FormulaC24H23Cl2F3N6O3
Molecular Weight571.39 g/mol
Exact Mass570.12
IUPAC NameN-[2,6-dichloro-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1c(Cl)ccc(Nc2ncnc(N3CCC(OCc4ccc(OC(F)(F)F)cc4)CC3)n2)c1Cl
InChIInChI=1S/C24H23Cl2F3N6O3/c1-14(36)32-21-18(25)6-7-19(20(21)26)33-22-30-13-31-23(34-22)35-10-8-16(9-11-35)37-12-15-2-4-17(5-3-15)38-24(27,28)29/h2-7,13,16H,8-12H2,1H3,(H,32,36)(H,30,31,33,34)
InChIKeyNWKPYCNHLMXECZ-UHFFFAOYSA-N
XLogP5.96
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.39
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-methyl-3-(4-(4-(4-(trifluoromethoxy)benzyloxy)piperidin-1-yl)-1,3,5-triazin-2-ylamino)phenyl)acetamide
CID 53361524
N-[2-methyl-3-[[4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 53362558
N-[2-methyl-3-[[4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 53362559
N-[3-[[4-[4-[(4-methoxyphenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide
CID 53362557
N-[2-methyl-3-[[4-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 45137326
N-[3-[[4-[4-(3-chloro-4-fluorophenoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 45137327
N-[2-methyl-5-[[4-[4-[[3-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 68516885
N-[5-[[4-[4-(4-chloro-3-fluorophenoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]acetamide
CID 68517063
N-[2-methyl-3-[[4-[4-(2,3,4-trifluorophenoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 68518274
N-[2-phenyl-5-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 68519572
N-[2,6-difluoro-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 68519618
N-[3-[[4-[4-(4-chloro-3-fluorophenoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide
CID 68520608

Frequently Asked Questions

What is the IUPAC name of N-[2,6-dichloro-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[2,6-dichloro-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide (CID 68518354) is N-[2,6-dichloro-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[2,6-dichloro-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[2,6-dichloro-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide is CC(=O)Nc1c(Cl)ccc(Nc2ncnc(N3CCC(OCc4ccc(OC(F)(F)F)cc4)CC3)n2)c1Cl.
What is the InChIKey of N-[2,6-dichloro-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The InChIKey is NWKPYCNHLMXECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2F3N6O3/c1-14(36)32-21-18(25)6-7-19(20(21)26)33-22-30-13-31-23(34-22)35-10-8-16(9-11-35)37-12-15-2-4-17(5-3-15)38-24(27,28)29/h2-7,13,16H,8-12H2,1H3,(H,32,36)(H,30,31,33,34).
What are the key properties of N-[2,6-dichloro-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
N-[2,6-dichloro-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide has a molecular weight of 571.39 g/mol, XLogP of 5.96, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-dichloro-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 68518354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).