1-(4,4-difluoropiperidin-1-yl)-2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone

C17H24F2N4O2 — CID 171993027

IUPAC1-(4,4-difluoropiperidin-1-yl)-2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone
SMILESCOc1cc(N2CCC(CC(=O)N3CCC(F)(F)CC3)CC2)ncn1
InChIInChI=1S/C17H24F2N4O2/c1-25-15-11-14(20-12-21-15)22-6-2-13(3-7-22)10-16(24)23-8-4-17(18,19)5-9-23/h11-13H,2-10H2,1H3
InChIKeyGUPSPBJWPHKZDE-UHFFFAOYSA-N
MW354.40 g/mol
LogP2.35
Rot. Bonds4

About 1-(4,4-difluoropiperidin-1-yl)-2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone

1-(4,4-difluoropiperidin-1-yl)-2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone (PubChem CID 171993027) has the molecular formula C17H24F2N4O2 and a molecular weight of 354.40 g/mol. Its IUPAC name is 1-(4,4-difluoropiperidin-1-yl)-2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-(4,4-difluoropiperidin-1-yl)-2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone
PubChem CID171993027
Molecular FormulaC17H24F2N4O2
Molecular Weight354.40 g/mol
Exact Mass354.19
IUPAC Name1-(4,4-difluoropiperidin-1-yl)-2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone
SMILESCOc1cc(N2CCC(CC(=O)N3CCC(F)(F)CC3)CC2)ncn1
InChIInChI=1S/C17H24F2N4O2/c1-25-15-11-14(20-12-21-15)22-6-2-13(3-7-22)10-16(24)23-8-4-17(18,19)5-9-23/h11-13H,2-10H2,1H3
InChIKeyGUPSPBJWPHKZDE-UHFFFAOYSA-N
XLogP2.35
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone?
The IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone (CID 171993027) is 1-(4,4-difluoropiperidin-1-yl)-2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone.
What is the SMILES notation for 1-(4,4-difluoropiperidin-1-yl)-2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone?
The canonical SMILES for 1-(4,4-difluoropiperidin-1-yl)-2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone is COc1cc(N2CCC(CC(=O)N3CCC(F)(F)CC3)CC2)ncn1.
What is the InChIKey of 1-(4,4-difluoropiperidin-1-yl)-2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone?
The InChIKey is GUPSPBJWPHKZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N4O2/c1-25-15-11-14(20-12-21-15)22-6-2-13(3-7-22)10-16(24)23-8-4-17(18,19)5-9-23/h11-13H,2-10H2,1H3.
What are the key properties of 1-(4,4-difluoropiperidin-1-yl)-2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone?
1-(4,4-difluoropiperidin-1-yl)-2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone has a molecular weight of 354.40 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluoropiperidin-1-yl)-2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone is sourced from PubChem (CID 171993027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).