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

C9H12ClN5O2 — CID 62858659

IUPAC3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]piperidin-2-one
SMILESCOc1nc(Cl)nc(NC2CCCNC2=O)n1
InChIInChI=1S/C9H12ClN5O2/c1-17-9-14-7(10)13-8(15-9)12-5-3-2-4-11-6(5)16/h5H,2-4H2,1H3,(H,11,16)(H,12,13,14,15)
InChIKeyLKKMHSHCHREFRC-UHFFFAOYSA-N
MW257.68 g/mol
LogP0.22
Rot. Bonds3

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

3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]piperidin-2-one (PubChem CID 62858659) has the molecular formula C9H12ClN5O2 and a molecular weight of 257.68 g/mol. Its IUPAC name is 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]piperidin-2-one
PubChem CID62858659
Molecular FormulaC9H12ClN5O2
Molecular Weight257.68 g/mol
Exact Mass257.07
IUPAC Name3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]piperidin-2-one
SMILESCOc1nc(Cl)nc(NC2CCCNC2=O)n1
InChIInChI=1S/C9H12ClN5O2/c1-17-9-14-7(10)13-8(15-9)12-5-3-2-4-11-6(5)16/h5H,2-4H2,1H3,(H,11,16)(H,12,13,14,15)
InChIKeyLKKMHSHCHREFRC-UHFFFAOYSA-N
XLogP0.22
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]piperidin-2-one?
The IUPAC name of 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]piperidin-2-one (CID 62858659) is 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]piperidin-2-one.
What is the SMILES notation for 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]piperidin-2-one?
The canonical SMILES for 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]piperidin-2-one is COc1nc(Cl)nc(NC2CCCNC2=O)n1.
What is the InChIKey of 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]piperidin-2-one?
The InChIKey is LKKMHSHCHREFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN5O2/c1-17-9-14-7(10)13-8(15-9)12-5-3-2-4-11-6(5)16/h5H,2-4H2,1H3,(H,11,16)(H,12,13,14,15).
What are the key properties of 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]piperidin-2-one?
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]piperidin-2-one has a molecular weight of 257.68 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]piperidin-2-one is sourced from PubChem (CID 62858659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).