[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1-methylpiperidin-3-yl)methanone

C16H23FN4O2 — CID 122258281

IUPAC[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1-methylpiperidin-3-yl)methanone
SMILESCN1CCCC(C(=O)N2CCCC(Oc3ncc(F)cn3)C2)C1
InChIInChI=1S/C16H23FN4O2/c1-20-6-2-4-12(10-20)15(22)21-7-3-5-14(11-21)23-16-18-8-13(17)9-19-16/h8-9,12,14H,2-7,10-11H2,1H3
InChIKeyNCHKQQHKNUDZBU-UHFFFAOYSA-N
MW322.38 g/mol
LogP1.33
Rot. Bonds3

About [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1-methylpiperidin-3-yl)methanone

[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1-methylpiperidin-3-yl)methanone (PubChem CID 122258281) has the molecular formula C16H23FN4O2 and a molecular weight of 322.38 g/mol. Its IUPAC name is [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1-methylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1-methylpiperidin-3-yl)methanone
PubChem CID122258281
Molecular FormulaC16H23FN4O2
Molecular Weight322.38 g/mol
Exact Mass322.18
IUPAC Name[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1-methylpiperidin-3-yl)methanone
SMILESCN1CCCC(C(=O)N2CCCC(Oc3ncc(F)cn3)C2)C1
InChIInChI=1S/C16H23FN4O2/c1-20-6-2-4-12(10-20)15(22)21-7-3-5-14(11-21)23-16-18-8-13(17)9-19-16/h8-9,12,14H,2-7,10-11H2,1H3
InChIKeyNCHKQQHKNUDZBU-UHFFFAOYSA-N
XLogP1.33
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1-methylpiperidin-3-yl)methanone?
The IUPAC name of [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1-methylpiperidin-3-yl)methanone (CID 122258281) is [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1-methylpiperidin-3-yl)methanone.
What is the SMILES notation for [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1-methylpiperidin-3-yl)methanone?
The canonical SMILES for [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1-methylpiperidin-3-yl)methanone is CN1CCCC(C(=O)N2CCCC(Oc3ncc(F)cn3)C2)C1.
What is the InChIKey of [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1-methylpiperidin-3-yl)methanone?
The InChIKey is NCHKQQHKNUDZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4O2/c1-20-6-2-4-12(10-20)15(22)21-7-3-5-14(11-21)23-16-18-8-13(17)9-19-16/h8-9,12,14H,2-7,10-11H2,1H3.
What are the key properties of [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1-methylpiperidin-3-yl)methanone?
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1-methylpiperidin-3-yl)methanone has a molecular weight of 322.38 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1-methylpiperidin-3-yl)methanone is sourced from PubChem (CID 122258281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).