N-[[4-fluoro-1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]methyl]acetamide

C13H19FN4O2 — CID 165431804

IUPACN-[[4-fluoro-1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1(F)CCN(c2cc(=O)n(C)cn2)CC1
InChIInChI=1S/C13H19FN4O2/c1-10(19)15-8-13(14)3-5-18(6-4-13)11-7-12(20)17(2)9-16-11/h7,9H,3-6,8H2,1-2H3,(H,15,19)
InChIKeyMVHWXLVQGLPJOC-UHFFFAOYSA-N
MW282.32 g/mol
LogP0.22
Rot. Bonds3

About N-[[4-fluoro-1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]methyl]acetamide

N-[[4-fluoro-1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]methyl]acetamide (PubChem CID 165431804) has the molecular formula C13H19FN4O2 and a molecular weight of 282.32 g/mol. Its IUPAC name is N-[[4-fluoro-1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-fluoro-1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
PubChem CID165431804
Molecular FormulaC13H19FN4O2
Molecular Weight282.32 g/mol
Exact Mass282.15
IUPAC NameN-[[4-fluoro-1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1(F)CCN(c2cc(=O)n(C)cn2)CC1
InChIInChI=1S/C13H19FN4O2/c1-10(19)15-8-13(14)3-5-18(6-4-13)11-7-12(20)17(2)9-16-11/h7,9H,3-6,8H2,1-2H3,(H,15,19)
InChIKeyMVHWXLVQGLPJOC-UHFFFAOYSA-N
XLogP0.22
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[4-fluoro-1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]methyl]acetamide (CID 165431804) is N-[[4-fluoro-1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[4-fluoro-1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[4-fluoro-1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]methyl]acetamide is CC(=O)NCC1(F)CCN(c2cc(=O)n(C)cn2)CC1.
What is the InChIKey of N-[[4-fluoro-1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]methyl]acetamide?
The InChIKey is MVHWXLVQGLPJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4O2/c1-10(19)15-8-13(14)3-5-18(6-4-13)11-7-12(20)17(2)9-16-11/h7,9H,3-6,8H2,1-2H3,(H,15,19).
What are the key properties of N-[[4-fluoro-1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]methyl]acetamide?
N-[[4-fluoro-1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]methyl]acetamide has a molecular weight of 282.32 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 165431804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).