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

C23H26N6O — CID 53363032

IUPACN-[3-[[4-(4-benzylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncnc(N3CCC(Cc4ccccc4)CC3)n2)c1
InChIInChI=1S/C23H26N6O/c1-17(30)26-20-8-5-9-21(15-20)27-22-24-16-25-23(28-22)29-12-10-19(11-13-29)14-18-6-3-2-4-7-18/h2-9,15-16,19H,10-14H2,1H3,(H,26,30)(H,24,25,27,28)
InChIKeyXJKUYLDLJGZJDM-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.03
Rot. Bonds6

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

N-[3-[[4-(4-benzylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide (PubChem CID 53363032) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[3-[[4-(4-benzylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[4-(4-benzylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
PubChem CID53363032
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC NameN-[3-[[4-(4-benzylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncnc(N3CCC(Cc4ccccc4)CC3)n2)c1
InChIInChI=1S/C23H26N6O/c1-17(30)26-20-8-5-9-21(15-20)27-22-24-16-25-23(28-22)29-12-10-19(11-13-29)14-18-6-3-2-4-7-18/h2-9,15-16,19H,10-14H2,1H3,(H,26,30)(H,24,25,27,28)
InChIKeyXJKUYLDLJGZJDM-UHFFFAOYSA-N
XLogP4.03
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(4-benzylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[4-(4-benzylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide (CID 53363032) is N-[3-[[4-(4-benzylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[4-(4-benzylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[4-(4-benzylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2ncnc(N3CCC(Cc4ccccc4)CC3)n2)c1.
What is the InChIKey of N-[3-[[4-(4-benzylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The InChIKey is XJKUYLDLJGZJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O/c1-17(30)26-20-8-5-9-21(15-20)27-22-24-16-25-23(28-22)29-12-10-19(11-13-29)14-18-6-3-2-4-7-18/h2-9,15-16,19H,10-14H2,1H3,(H,26,30)(H,24,25,27,28).
What are the key properties of N-[3-[[4-(4-benzylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
N-[3-[[4-(4-benzylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide has a molecular weight of 402.50 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(4-benzylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 53363032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).