5-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]piperidin-2-one

C11H16ClN5O2 — CID 55233477

IUPAC5-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]piperidin-2-one
SMILESCCCOc1nc(Cl)nc(NC2CCC(=O)NC2)n1
InChIInChI=1S/C11H16ClN5O2/c1-2-5-19-11-16-9(12)15-10(17-11)14-7-3-4-8(18)13-6-7/h7H,2-6H2,1H3,(H,13,18)(H,14,15,16,17)
InChIKeyXCFOOACHCIHZPP-UHFFFAOYSA-N
MW285.74 g/mol
LogP1.00
Rot. Bonds5

About 5-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]piperidin-2-one

5-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]piperidin-2-one (PubChem CID 55233477) has the molecular formula C11H16ClN5O2 and a molecular weight of 285.74 g/mol. Its IUPAC name is 5-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name5-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]piperidin-2-one
PubChem CID55233477
Molecular FormulaC11H16ClN5O2
Molecular Weight285.74 g/mol
Exact Mass285.10
IUPAC Name5-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]piperidin-2-one
SMILESCCCOc1nc(Cl)nc(NC2CCC(=O)NC2)n1
InChIInChI=1S/C11H16ClN5O2/c1-2-5-19-11-16-9(12)15-10(17-11)14-7-3-4-8(18)13-6-7/h7H,2-6H2,1H3,(H,13,18)(H,14,15,16,17)
InChIKeyXCFOOACHCIHZPP-UHFFFAOYSA-N
XLogP1.00
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.74
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]piperidin-2-one?
The IUPAC name of 5-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]piperidin-2-one (CID 55233477) is 5-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]piperidin-2-one.
What is the SMILES notation for 5-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]piperidin-2-one?
The canonical SMILES for 5-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]piperidin-2-one is CCCOc1nc(Cl)nc(NC2CCC(=O)NC2)n1.
What is the InChIKey of 5-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]piperidin-2-one?
The InChIKey is XCFOOACHCIHZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5O2/c1-2-5-19-11-16-9(12)15-10(17-11)14-7-3-4-8(18)13-6-7/h7H,2-6H2,1H3,(H,13,18)(H,14,15,16,17).
What are the key properties of 5-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]piperidin-2-one?
5-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]piperidin-2-one has a molecular weight of 285.74 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]piperidin-2-one is sourced from PubChem (CID 55233477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).