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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Related Compounds

4-(5-Fluoro-2-morpholin-4-ylpyrimidin-4-yl)morpholine
CID 616971
5-(5-fluoropyrimidin-2-yl)-2-morpholin-4-yl-6-[[(3R)-piperidin-3-yl]amino]-1,3-diazinan-4-one
CID 134612280
5-fluoro-N-methyl-2-(morpholin-4-yl)pyrimidin-4-amine
CID 3121396
1-(1-Methoxypropan-2-yl)-1-methyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 45831205
N-[1-(morpholin-4-ylcarbonyl)piperidin-4-yl]pyrimidin-4-amine
CID 72876657
trans-N-(4-((5-fluoro-4-morpholinopyrimidin-2-yl)amino)cyclohexyl)acetamide
CID 172592025
N-isopropyl-1-(4-morpholino-5-pyrimidinyl)-4-piperidinecarboxamide
CID 53165757
N-[2-(dimethylamino)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53165817
N-(2-methylpropyl)-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53165821
2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 53189314
1-[4-(dimethylamino)pyrimidin-5-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 83273922
1-{3-[(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]propyl}pyrrolidin-2-one
CID 50950817

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).