4-(fluoromethyl)-1-[1-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]pyrrolidin-2-one

C16H23FN4O2 — CID 126899899

IUPAC4-(fluoromethyl)-1-[1-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]pyrrolidin-2-one
SMILESCOCc1nccc(N2CCC(N3CC(CF)CC3=O)CC2)n1
InChIInChI=1S/C16H23FN4O2/c1-23-11-14-18-5-2-15(19-14)20-6-3-13(4-7-20)21-10-12(9-17)8-16(21)22/h2,5,12-13H,3-4,6-11H2,1H3
InChIKeyGTNNKJZGMYNGTI-UHFFFAOYSA-N
MW322.38 g/mol
LogP1.41
Rot. Bonds5

About 4-(fluoromethyl)-1-[1-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]pyrrolidin-2-one

4-(fluoromethyl)-1-[1-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]pyrrolidin-2-one (PubChem CID 126899899) has the molecular formula C16H23FN4O2 and a molecular weight of 322.38 g/mol. Its IUPAC name is 4-(fluoromethyl)-1-[1-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(fluoromethyl)-1-[1-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]pyrrolidin-2-one
PubChem CID126899899
Molecular FormulaC16H23FN4O2
Molecular Weight322.38 g/mol
Exact Mass322.18
IUPAC Name4-(fluoromethyl)-1-[1-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]pyrrolidin-2-one
SMILESCOCc1nccc(N2CCC(N3CC(CF)CC3=O)CC2)n1
InChIInChI=1S/C16H23FN4O2/c1-23-11-14-18-5-2-15(19-14)20-6-3-13(4-7-20)21-10-12(9-17)8-16(21)22/h2,5,12-13H,3-4,6-11H2,1H3
InChIKeyGTNNKJZGMYNGTI-UHFFFAOYSA-N
XLogP1.41
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1-[1-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 4-(fluoromethyl)-1-[1-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]pyrrolidin-2-one (CID 126899899) is 4-(fluoromethyl)-1-[1-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-(fluoromethyl)-1-[1-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 4-(fluoromethyl)-1-[1-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]pyrrolidin-2-one is COCc1nccc(N2CCC(N3CC(CF)CC3=O)CC2)n1.
What is the InChIKey of 4-(fluoromethyl)-1-[1-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is GTNNKJZGMYNGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4O2/c1-23-11-14-18-5-2-15(19-14)20-6-3-13(4-7-20)21-10-12(9-17)8-16(21)22/h2,5,12-13H,3-4,6-11H2,1H3.
What are the key properties of 4-(fluoromethyl)-1-[1-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]pyrrolidin-2-one?
4-(fluoromethyl)-1-[1-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 322.38 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1-[1-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126899899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).