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

C13H19FN4O2 — CID 165431973

IUPACN-[[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
SMILESCOc1cc(N2CCC(F)(CNC(C)=O)CC2)ncn1
InChIInChI=1S/C13H19FN4O2/c1-10(19)15-8-13(14)3-5-18(6-4-13)11-7-12(20-2)17-9-16-11/h7,9H,3-6,8H2,1-2H3,(H,15,19)
InChIKeyCUJSRCYJXFEMCV-UHFFFAOYSA-N
MW282.32 g/mol
LogP0.93
Rot. Bonds4

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

N-[[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]acetamide (PubChem CID 165431973) has the molecular formula C13H19FN4O2 and a molecular weight of 282.32 g/mol. Its IUPAC name is N-[[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
PubChem CID165431973
Molecular FormulaC13H19FN4O2
Molecular Weight282.32 g/mol
Exact Mass282.15
IUPAC NameN-[[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
SMILESCOc1cc(N2CCC(F)(CNC(C)=O)CC2)ncn1
InChIInChI=1S/C13H19FN4O2/c1-10(19)15-8-13(14)3-5-18(6-4-13)11-7-12(20-2)17-9-16-11/h7,9H,3-6,8H2,1-2H3,(H,15,19)
InChIKeyCUJSRCYJXFEMCV-UHFFFAOYSA-N
XLogP0.93
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluoro-1-quinoxalin-2-ylpiperidin-4-yl)methyl]acetamide
CID 165432997
N-[[1-(6-cyclobutylpyrimidin-4-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide
CID 165432162
N-[[4-fluoro-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methyl]acetamide
CID 165431838
N-[(4-fluoro-1-isoquinolin-1-ylpiperidin-4-yl)methyl]acetamide
CID 165433026
N-[[4-fluoro-1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide
CID 165432135
N-cyclopropyl-1-(6-methoxypyrimidin-4-yl)piperidine-4-carboxamide
CID 163345372
(2R)-N-(2-methoxyethyl)-8-(6-methoxypyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 97422154
N-[2-(methoxyamino)-2-oxoethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide
CID 167848306
1-[(5R)-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 97415473
N-[(4-fluoro-1-pyrimidin-4-ylpiperidin-4-yl)methyl]cyclopropanecarboxamide
CID 165431964
2-[[(3R)-8-(6-methoxypyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N,N-dimethylacetamide
CID 97418823
2-methoxy-7-(6-methoxypyrimidin-4-yl)-7-azaspiro[3.5]nonane
CID 97451275

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]acetamide (CID 165431973) is N-[[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]acetamide is COc1cc(N2CCC(F)(CNC(C)=O)CC2)ncn1.
What is the InChIKey of N-[[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]acetamide?
The InChIKey is CUJSRCYJXFEMCV-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(20-2)17-9-16-11/h7,9H,3-6,8H2,1-2H3,(H,15,19).
What are the key properties of N-[[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]acetamide?
N-[[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]acetamide has a molecular weight of 282.32 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 165431973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).