(4,4-difluoropiperidin-1-yl)-[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methanone

C16H22F2N4O2 — CID 163357861

IUPAC(4,4-difluoropiperidin-1-yl)-[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methanone
SMILESCOc1cc(N2CCCC(C(=O)N3CCC(F)(F)CC3)C2)ncn1
InChIInChI=1S/C16H22F2N4O2/c1-24-14-9-13(19-11-20-14)22-6-2-3-12(10-22)15(23)21-7-4-16(17,18)5-8-21/h9,11-12H,2-8,10H2,1H3
InChIKeyRTDHWHJJJJBHOP-UHFFFAOYSA-N
MW340.37 g/mol
LogP1.96
Rot. Bonds3

About (4,4-difluoropiperidin-1-yl)-[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methanone

(4,4-difluoropiperidin-1-yl)-[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methanone (PubChem CID 163357861) has the molecular formula C16H22F2N4O2 and a molecular weight of 340.37 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methanone
PubChem CID163357861
Molecular FormulaC16H22F2N4O2
Molecular Weight340.37 g/mol
Exact Mass340.17
IUPAC Name(4,4-difluoropiperidin-1-yl)-[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methanone
SMILESCOc1cc(N2CCCC(C(=O)N3CCC(F)(F)CC3)C2)ncn1
InChIInChI=1S/C16H22F2N4O2/c1-24-14-9-13(19-11-20-14)22-6-2-3-12(10-22)15(23)21-7-4-16(17,18)5-8-21/h9,11-12H,2-8,10H2,1H3
InChIKeyRTDHWHJJJJBHOP-UHFFFAOYSA-N
XLogP1.96
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methanone (CID 163357861) is (4,4-difluoropiperidin-1-yl)-[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methanone is COc1cc(N2CCCC(C(=O)N3CCC(F)(F)CC3)C2)ncn1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methanone?
The InChIKey is RTDHWHJJJJBHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N4O2/c1-24-14-9-13(19-11-20-14)22-6-2-3-12(10-22)15(23)21-7-4-16(17,18)5-8-21/h9,11-12H,2-8,10H2,1H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methanone has a molecular weight of 340.37 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methanone is sourced from PubChem (CID 163357861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).