N-(2,2-difluoroethyl)-2-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]acetamide

C14H20F2N4O2 — CID 175648253

IUPACN-(2,2-difluoroethyl)-2-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]acetamide
SMILESCn1cnc(N2CCC(CC(=O)NCC(F)F)CC2)cc1=O
InChIInChI=1S/C14H20F2N4O2/c1-19-9-18-12(7-14(19)22)20-4-2-10(3-5-20)6-13(21)17-8-11(15)16/h7,9-11H,2-6,8H2,1H3,(H,17,21)
InChIKeyVQJKPYIQHIINKQ-UHFFFAOYSA-N
MW314.34 g/mol
LogP0.77
Rot. Bonds5

About N-(2,2-difluoroethyl)-2-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]acetamide

N-(2,2-difluoroethyl)-2-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]acetamide (PubChem CID 175648253) has the molecular formula C14H20F2N4O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]acetamide
PubChem CID175648253
Molecular FormulaC14H20F2N4O2
Molecular Weight314.34 g/mol
Exact Mass314.16
IUPAC NameN-(2,2-difluoroethyl)-2-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]acetamide
SMILESCn1cnc(N2CCC(CC(=O)NCC(F)F)CC2)cc1=O
InChIInChI=1S/C14H20F2N4O2/c1-19-9-18-12(7-14(19)22)20-4-2-10(3-5-20)6-13(21)17-8-11(15)16/h7,9-11H,2-6,8H2,1H3,(H,17,21)
InChIKeyVQJKPYIQHIINKQ-UHFFFAOYSA-N
XLogP0.77
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]acetamide?
The IUPAC name of N-(2,2-difluoroethyl)-2-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]acetamide (CID 175648253) is N-(2,2-difluoroethyl)-2-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]acetamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]acetamide is Cn1cnc(N2CCC(CC(=O)NCC(F)F)CC2)cc1=O.
What is the InChIKey of N-(2,2-difluoroethyl)-2-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]acetamide?
The InChIKey is VQJKPYIQHIINKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N4O2/c1-19-9-18-12(7-14(19)22)20-4-2-10(3-5-20)6-13(21)17-8-11(15)16/h7,9-11H,2-6,8H2,1H3,(H,17,21).
What are the key properties of N-(2,2-difluoroethyl)-2-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]acetamide?
N-(2,2-difluoroethyl)-2-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]acetamide has a molecular weight of 314.34 g/mol, XLogP of 0.77, 5 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-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 175648253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).