4-(5-fluoropyrimidin-2-yl)oxy-N-propan-2-ylpiperidine-1-carboxamide

C13H19FN4O2 — CID 139028785

IUPAC4-(5-fluoropyrimidin-2-yl)oxy-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C13H19FN4O2/c1-9(2)17-13(19)18-5-3-11(4-6-18)20-12-15-7-10(14)8-16-12/h7-9,11H,3-6H2,1-2H3,(H,17,19)
InChIKeyRGRRFVGDRCJUAC-UHFFFAOYSA-N
MW282.32 g/mol
LogP1.58
Rot. Bonds3

About 4-(5-fluoropyrimidin-2-yl)oxy-N-propan-2-ylpiperidine-1-carboxamide

4-(5-fluoropyrimidin-2-yl)oxy-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 139028785) has the molecular formula C13H19FN4O2 and a molecular weight of 282.32 g/mol. Its IUPAC name is 4-(5-fluoropyrimidin-2-yl)oxy-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(5-fluoropyrimidin-2-yl)oxy-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID139028785
Molecular FormulaC13H19FN4O2
Molecular Weight282.32 g/mol
Exact Mass282.15
IUPAC Name4-(5-fluoropyrimidin-2-yl)oxy-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C13H19FN4O2/c1-9(2)17-13(19)18-5-3-11(4-6-18)20-12-15-7-10(14)8-16-12/h7-9,11H,3-6H2,1-2H3,(H,17,19)
InChIKeyRGRRFVGDRCJUAC-UHFFFAOYSA-N
XLogP1.58
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoropyrimidin-2-yl)oxy-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of 4-(5-fluoropyrimidin-2-yl)oxy-N-propan-2-ylpiperidine-1-carboxamide (CID 139028785) is 4-(5-fluoropyrimidin-2-yl)oxy-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(5-fluoropyrimidin-2-yl)oxy-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-(5-fluoropyrimidin-2-yl)oxy-N-propan-2-ylpiperidine-1-carboxamide is CC(C)NC(=O)N1CCC(Oc2ncc(F)cn2)CC1.
What is the InChIKey of 4-(5-fluoropyrimidin-2-yl)oxy-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is RGRRFVGDRCJUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4O2/c1-9(2)17-13(19)18-5-3-11(4-6-18)20-12-15-7-10(14)8-16-12/h7-9,11H,3-6H2,1-2H3,(H,17,19).
What are the key properties of 4-(5-fluoropyrimidin-2-yl)oxy-N-propan-2-ylpiperidine-1-carboxamide?
4-(5-fluoropyrimidin-2-yl)oxy-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 282.32 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoropyrimidin-2-yl)oxy-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 139028785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).