N-(2,2-difluoroethyl)-2-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]acetamide

C14H20F2N4O2 — CID 175648381

IUPACN-(2,2-difluoroethyl)-2-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]acetamide
SMILESCOc1ccnc(N2CCC(CC(=O)NCC(F)F)CC2)n1
InChIInChI=1S/C14H20F2N4O2/c1-22-13-2-5-17-14(19-13)20-6-3-10(4-7-20)8-12(21)18-9-11(15)16/h2,5,10-11H,3-4,6-9H2,1H3,(H,18,21)
InChIKeyFHLVEQLIKGZDRA-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.47
Rot. Bonds6

About N-(2,2-difluoroethyl)-2-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]acetamide

N-(2,2-difluoroethyl)-2-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]acetamide (PubChem CID 175648381) has the molecular formula C14H20F2N4O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]acetamide
PubChem CID175648381
Molecular FormulaC14H20F2N4O2
Molecular Weight314.34 g/mol
Exact Mass314.16
IUPAC NameN-(2,2-difluoroethyl)-2-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]acetamide
SMILESCOc1ccnc(N2CCC(CC(=O)NCC(F)F)CC2)n1
InChIInChI=1S/C14H20F2N4O2/c1-22-13-2-5-17-14(19-13)20-6-3-10(4-7-20)8-12(21)18-9-11(15)16/h2,5,10-11H,3-4,6-9H2,1H3,(H,18,21)
InChIKeyFHLVEQLIKGZDRA-UHFFFAOYSA-N
XLogP1.47
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,2-difluoroethyl)-2-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]acetamide?
The IUPAC name of N-(2,2-difluoroethyl)-2-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]acetamide (CID 175648381) is N-(2,2-difluoroethyl)-2-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]acetamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]acetamide is COc1ccnc(N2CCC(CC(=O)NCC(F)F)CC2)n1.
What is the InChIKey of N-(2,2-difluoroethyl)-2-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]acetamide?
The InChIKey is FHLVEQLIKGZDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N4O2/c1-22-13-2-5-17-14(19-13)20-6-3-10(4-7-20)8-12(21)18-9-11(15)16/h2,5,10-11H,3-4,6-9H2,1H3,(H,18,21).
What are the key properties of N-(2,2-difluoroethyl)-2-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]acetamide?
N-(2,2-difluoroethyl)-2-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]acetamide has a molecular weight of 314.34 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 175648381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).