(3S)-3-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one

C16H23FN4O2 — CID 171359151

IUPAC(3S)-3-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CC[C@H](N2CCC(Oc3ncc(F)cn3)CC2)C1=O
InChIInChI=1S/C16H23FN4O2/c1-11(2)21-8-5-14(15(21)22)20-6-3-13(4-7-20)23-16-18-9-12(17)10-19-16/h9-11,13-14H,3-8H2,1-2H3/t14-/m0/s1
InChIKeyRWUSYAHLISOPDT-AWEZNQCLSA-N
MW322.38 g/mol
LogP1.47
Rot. Bonds4

About (3S)-3-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one

(3S)-3-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one (PubChem CID 171359151) has the molecular formula C16H23FN4O2 and a molecular weight of 322.38 g/mol. Its IUPAC name is (3S)-3-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one
PubChem CID171359151
Molecular FormulaC16H23FN4O2
Molecular Weight322.38 g/mol
Exact Mass322.18
IUPAC Name(3S)-3-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CC[C@H](N2CCC(Oc3ncc(F)cn3)CC2)C1=O
InChIInChI=1S/C16H23FN4O2/c1-11(2)21-8-5-14(15(21)22)20-6-3-13(4-7-20)23-16-18-9-12(17)10-19-16/h9-11,13-14H,3-8H2,1-2H3/t14-/m0/s1
InChIKeyRWUSYAHLISOPDT-AWEZNQCLSA-N
XLogP1.47
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4aR,7aR)-4-[2-(dimethylamino)ethyl]-6-(5-fluoropyrimidin-2-yl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 97402663
2-[(4aR,7aS)-4-(5-fluoropyrimidin-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-N,N-dimethylacetamide
CID 97510740
2-[9-(5-fluoropyrimidin-2-yl)-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]-N,N-dimethylacetamide
CID 118738969
1-Ethyl-4-(3-((5-fluoropyrimidin-2-yl)oxy)pyrrolidine-1-carbonyl)piperazine-2,3-dione
CID 121017660
2-[(4aS,7aS)-6-(5-fluoropyrimidin-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-yl]-N,N-dimethylacetamide
CID 125217106
1-[(4aS,7aR)-4-(5-fluoropyrimidin-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-3-methylbutan-1-one
CID 125227378
3-[2-[(3S)-3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 129523292
2-(5-Fluoropyrimidin-2-yl)-9-methyl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one
CID 131638423
2-[2-(5-fluoropyrimidin-2-yl)-9-methyl-10-oxo-2,6,9-triazaspiro[4.5]decan-6-yl]-N,N-dimethylacetamide
CID 131647528
2-(5-Fluoropyrimidin-2-yl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one
CID 131653923
tert-butyl (1S,4S)-5-(5-fluoropyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 15729881
1-(4-Cyclopentylpiperazin-1-yl)-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone
CID 57443029

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of (3S)-3-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one (CID 171359151) is (3S)-3-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for (3S)-3-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for (3S)-3-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one is CC(C)N1CC[C@H](N2CCC(Oc3ncc(F)cn3)CC2)C1=O.
What is the InChIKey of (3S)-3-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is RWUSYAHLISOPDT-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23FN4O2/c1-11(2)21-8-5-14(15(21)22)20-6-3-13(4-7-20)23-16-18-9-12(17)10-19-16/h9-11,13-14H,3-8H2,1-2H3/t14-/m0/s1.
What are the key properties of (3S)-3-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one?
(3S)-3-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 322.38 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 171359151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).