N-[2-methyl-3-[[4-[4-[(4-propan-2-ylphenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide

C27H34N6O2 — CID 53362502

IUPACN-[2-methyl-3-[[4-[4-[(4-propan-2-ylphenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncnc(N3CCC(OCc4ccc(C(C)C)cc4)CC3)n2)c1C
InChIInChI=1S/C27H34N6O2/c1-18(2)22-10-8-21(9-11-22)16-35-23-12-14-33(15-13-23)27-29-17-28-26(32-27)31-25-7-5-6-24(19(25)3)30-20(4)34/h5-11,17-18,23H,12-16H2,1-4H3,(H,30,34)(H,28,29,31,32)
InChIKeyUSVHBIUVZZJUHI-UHFFFAOYSA-N
MW474.61 g/mol
LogP5.19
Rot. Bonds8

About N-[2-methyl-3-[[4-[4-[(4-propan-2-ylphenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide

N-[2-methyl-3-[[4-[4-[(4-propan-2-ylphenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide (PubChem CID 53362502) has the molecular formula C27H34N6O2 and a molecular weight of 474.61 g/mol. Its IUPAC name is N-[2-methyl-3-[[4-[4-[(4-propan-2-ylphenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methyl-3-[[4-[4-[(4-propan-2-ylphenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
PubChem CID53362502
Molecular FormulaC27H34N6O2
Molecular Weight474.61 g/mol
Exact Mass474.27
IUPAC NameN-[2-methyl-3-[[4-[4-[(4-propan-2-ylphenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncnc(N3CCC(OCc4ccc(C(C)C)cc4)CC3)n2)c1C
InChIInChI=1S/C27H34N6O2/c1-18(2)22-10-8-21(9-11-22)16-35-23-12-14-33(15-13-23)27-29-17-28-26(32-27)31-25-7-5-6-24(19(25)3)30-20(4)34/h5-11,17-18,23H,12-16H2,1-4H3,(H,30,34)(H,28,29,31,32)
InChIKeyUSVHBIUVZZJUHI-UHFFFAOYSA-N
XLogP5.19
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.61
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[[4-[4-[(4-propan-2-ylphenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The IUPAC name of 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) is N-[2-methyl-3-[[4-[4-[(4-propan-2-ylphenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[2-methyl-3-[[4-[4-[(4-propan-2-ylphenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[2-methyl-3-[[4-[4-[(4-propan-2-ylphenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2ncnc(N3CCC(OCc4ccc(C(C)C)cc4)CC3)n2)c1C.
What is the InChIKey of N-[2-methyl-3-[[4-[4-[(4-propan-2-ylphenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The InChIKey is USVHBIUVZZJUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O2/c1-18(2)22-10-8-21(9-11-22)16-35-23-12-14-33(15-13-23)27-29-17-28-26(32-27)31-25-7-5-6-24(19(25)3)30-20(4)34/h5-11,17-18,23H,12-16H2,1-4H3,(H,30,34)(H,28,29,31,32).
What are the key properties of N-[2-methyl-3-[[4-[4-[(4-propan-2-ylphenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
N-[2-methyl-3-[[4-[4-[(4-propan-2-ylphenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide has a molecular weight of 474.61 g/mol, XLogP of 5.19, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-[[4-[4-[(4-propan-2-ylphenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 53362502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).