2-[4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]piperidin-1-yl]acetamide

C12H20N6O3 — CID 62860167

IUPAC2-[4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]piperidin-1-yl]acetamide
SMILESCOc1nc(NC2CCN(CC(N)=O)CC2)nc(OC)n1
InChIInChI=1S/C12H20N6O3/c1-20-11-15-10(16-12(17-11)21-2)14-8-3-5-18(6-4-8)7-9(13)19/h8H,3-7H2,1-2H3,(H2,13,19)(H,14,15,16,17)
InChIKeyKLJDRHXMUKLPPW-UHFFFAOYSA-N
MW296.33 g/mol
LogP-0.75
Rot. Bonds6

About 2-[4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]piperidin-1-yl]acetamide

2-[4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]piperidin-1-yl]acetamide (PubChem CID 62860167) has the molecular formula C12H20N6O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]piperidin-1-yl]acetamide
PubChem CID62860167
Molecular FormulaC12H20N6O3
Molecular Weight296.33 g/mol
Exact Mass296.16
IUPAC Name2-[4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]piperidin-1-yl]acetamide
SMILESCOc1nc(NC2CCN(CC(N)=O)CC2)nc(OC)n1
InChIInChI=1S/C12H20N6O3/c1-20-11-15-10(16-12(17-11)21-2)14-8-3-5-18(6-4-8)7-9(13)19/h8H,3-7H2,1-2H3,(H2,13,19)(H,14,15,16,17)
InChIKeyKLJDRHXMUKLPPW-UHFFFAOYSA-N
XLogP-0.75
TPSA115.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]piperidin-1-yl]acetamide (CID 62860167) is 2-[4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]piperidin-1-yl]acetamide is COc1nc(NC2CCN(CC(N)=O)CC2)nc(OC)n1.
What is the InChIKey of 2-[4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]piperidin-1-yl]acetamide?
The InChIKey is KLJDRHXMUKLPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O3/c1-20-11-15-10(16-12(17-11)21-2)14-8-3-5-18(6-4-8)7-9(13)19/h8H,3-7H2,1-2H3,(H2,13,19)(H,14,15,16,17).
What are the key properties of 2-[4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]piperidin-1-yl]acetamide?
2-[4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]piperidin-1-yl]acetamide has a molecular weight of 296.33 g/mol, XLogP of -0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]piperidin-1-yl]acetamide is sourced from PubChem (CID 62860167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).