N-(2,2-difluoroethyl)-2-[1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidin-4-yl]acetamide

C14H20F2N4O3 — CID 175648247

IUPACN-(2,2-difluoroethyl)-2-[1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidin-4-yl]acetamide
SMILESCn1c(=O)cc(N2CCC(CC(=O)NCC(F)F)CC2)[nH]c1=O
InChIInChI=1S/C14H20F2N4O3/c1-19-13(22)7-11(18-14(19)23)20-4-2-9(3-5-20)6-12(21)17-8-10(15)16/h7,9-10H,2-6,8H2,1H3,(H,17,21)(H,18,23)
InChIKeyWMHSTPJAFJQGEK-UHFFFAOYSA-N
MW330.34 g/mol
LogP0.06
Rot. Bonds5

About N-(2,2-difluoroethyl)-2-[1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidin-4-yl]acetamide

N-(2,2-difluoroethyl)-2-[1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidin-4-yl]acetamide (PubChem CID 175648247) has the molecular formula C14H20F2N4O3 and a molecular weight of 330.34 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-[1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-[1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidin-4-yl]acetamide
PubChem CID175648247
Molecular FormulaC14H20F2N4O3
Molecular Weight330.34 g/mol
Exact Mass330.15
IUPAC NameN-(2,2-difluoroethyl)-2-[1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidin-4-yl]acetamide
SMILESCn1c(=O)cc(N2CCC(CC(=O)NCC(F)F)CC2)[nH]c1=O
InChIInChI=1S/C14H20F2N4O3/c1-19-13(22)7-11(18-14(19)23)20-4-2-9(3-5-20)6-12(21)17-8-10(15)16/h7,9-10H,2-6,8H2,1H3,(H,17,21)(H,18,23)
InChIKeyWMHSTPJAFJQGEK-UHFFFAOYSA-N
XLogP0.06
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-[1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidin-4-yl]acetamide?
The IUPAC name of N-(2,2-difluoroethyl)-2-[1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidin-4-yl]acetamide (CID 175648247) is N-(2,2-difluoroethyl)-2-[1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-[1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidin-4-yl]acetamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2-[1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidin-4-yl]acetamide is Cn1c(=O)cc(N2CCC(CC(=O)NCC(F)F)CC2)[nH]c1=O.
What is the InChIKey of N-(2,2-difluoroethyl)-2-[1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidin-4-yl]acetamide?
The InChIKey is WMHSTPJAFJQGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N4O3/c1-19-13(22)7-11(18-14(19)23)20-4-2-9(3-5-20)6-12(21)17-8-10(15)16/h7,9-10H,2-6,8H2,1H3,(H,17,21)(H,18,23).
What are the key properties of N-(2,2-difluoroethyl)-2-[1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidin-4-yl]acetamide?
N-(2,2-difluoroethyl)-2-[1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidin-4-yl]acetamide has a molecular weight of 330.34 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-[1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 175648247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).