1-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]ethanone

C15H22FN5O2 — CID 172591486

IUPAC1-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2ncc(F)c(N3CCOCC3)n2)CC1
InChIInChI=1S/C15H22FN5O2/c1-11(22)20-4-2-12(3-5-20)18-15-17-10-13(16)14(19-15)21-6-8-23-9-7-21/h10,12H,2-9H2,1H3,(H,17,18,19)
InChIKeyNINUHRLJVKKTLL-UHFFFAOYSA-N
MW323.37 g/mol
LogP0.88
Rot. Bonds3

About 1-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]ethanone

1-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]ethanone (PubChem CID 172591486) has the molecular formula C15H22FN5O2 and a molecular weight of 323.37 g/mol. Its IUPAC name is 1-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]ethanone
PubChem CID172591486
Molecular FormulaC15H22FN5O2
Molecular Weight323.37 g/mol
Exact Mass323.18
IUPAC Name1-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2ncc(F)c(N3CCOCC3)n2)CC1
InChIInChI=1S/C15H22FN5O2/c1-11(22)20-4-2-12(3-5-20)18-15-17-10-13(16)14(19-15)21-6-8-23-9-7-21/h10,12H,2-9H2,1H3,(H,17,18,19)
InChIKeyNINUHRLJVKKTLL-UHFFFAOYSA-N
XLogP0.88
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]ethanone (CID 172591486) is 1-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(Nc2ncc(F)c(N3CCOCC3)n2)CC1.
What is the InChIKey of 1-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]ethanone?
The InChIKey is NINUHRLJVKKTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN5O2/c1-11(22)20-4-2-12(3-5-20)18-15-17-10-13(16)14(19-15)21-6-8-23-9-7-21/h10,12H,2-9H2,1H3,(H,17,18,19).
What are the key properties of 1-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]ethanone?
1-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]ethanone has a molecular weight of 323.37 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 172591486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).