1-[2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-methylamino]ethyl]piperidin-2-one

C16H24FN5O2 — CID 50982259

IUPAC1-[2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-methylamino]ethyl]piperidin-2-one
SMILESCN(CCN1CCCCC1=O)c1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C16H24FN5O2/c1-20(6-7-21-5-3-2-4-14(21)23)16-18-12-13(17)15(19-16)22-8-10-24-11-9-22/h12H,2-11H2,1H3
InChIKeyUTXYNEXAOBZKNR-UHFFFAOYSA-N
MW337.40 g/mol
LogP0.90
Rot. Bonds5

About 1-[2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-methylamino]ethyl]piperidin-2-one

1-[2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-methylamino]ethyl]piperidin-2-one (PubChem CID 50982259) has the molecular formula C16H24FN5O2 and a molecular weight of 337.40 g/mol. Its IUPAC name is 1-[2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-methylamino]ethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-methylamino]ethyl]piperidin-2-one
PubChem CID50982259
Molecular FormulaC16H24FN5O2
Molecular Weight337.40 g/mol
Exact Mass337.19
IUPAC Name1-[2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-methylamino]ethyl]piperidin-2-one
SMILESCN(CCN1CCCCC1=O)c1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C16H24FN5O2/c1-20(6-7-21-5-3-2-4-14(21)23)16-18-12-13(17)15(19-16)22-8-10-24-11-9-22/h12H,2-11H2,1H3
InChIKeyUTXYNEXAOBZKNR-UHFFFAOYSA-N
XLogP0.90
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-methylamino]ethyl]piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-{4-[4-(5-Fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butyl}-4,4-dimethyl-piperidine-2,6-dione
CID 13254321
4-(5-Fluoro-2-morpholin-4-ylpyrimidin-4-yl)morpholine
CID 616971
1-{4-[4-(5-Fluoro-pyrimidin-2-yl)-piperazin-1-yl]-pentyl}-4,4-dimethyl-piperidine-2,6-dione
CID 44292776
2-Cyclopropyl-1-[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 97451026
1-(4-((5-Fluoro-4-morpholinopyrimidin-2-yl)amino)piperidin-1-yl)ethan-1-one
CID 172591486
trans-N-(4-((5-fluoro-4-morpholinopyrimidin-2-yl)amino)cyclohexyl)acetamide
CID 172592025
N~4~-butyl-N~4~-methyl-1-(4-morpholino-5-pyrimidinyl)-4-piperidinecarboxamide
CID 53165778
N~4~-methyl-1-(4-morpholino-5-pyrimidinyl)-N~4~-propyl-4-piperidinecarboxamide
CID 53165824
4-({1-[4-(4-Methylpiperazin-1-yl)pyrimidin-5-yl]piperidin-4-yl}carbonyl)morpholine
CID 53165904
1-(4-Ethylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone
CID 53189247
1-(4-Butylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone
CID 53189258
1-(4-Acetylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone
CID 53189259

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-methylamino]ethyl]piperidin-2-one?
The IUPAC name of 1-[2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-methylamino]ethyl]piperidin-2-one (CID 50982259) is 1-[2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-methylamino]ethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-methylamino]ethyl]piperidin-2-one?
The canonical SMILES for 1-[2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-methylamino]ethyl]piperidin-2-one is CN(CCN1CCCCC1=O)c1ncc(F)c(N2CCOCC2)n1.
What is the InChIKey of 1-[2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-methylamino]ethyl]piperidin-2-one?
The InChIKey is UTXYNEXAOBZKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN5O2/c1-20(6-7-21-5-3-2-4-14(21)23)16-18-12-13(17)15(19-16)22-8-10-24-11-9-22/h12H,2-11H2,1H3.
What are the key properties of 1-[2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-methylamino]ethyl]piperidin-2-one?
1-[2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-methylamino]ethyl]piperidin-2-one has a molecular weight of 337.40 g/mol, XLogP of 0.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-methylamino]ethyl]piperidin-2-one is sourced from PubChem (CID 50982259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).