[1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone

C15H18FN5O2 — CID 135098500

IUPAC[1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
SMILESCOc1nc(N2CCCC(C(=O)c3nccn3C)C2)ncc1F
InChIInChI=1S/C15H18FN5O2/c1-20-7-5-17-13(20)12(22)10-4-3-6-21(9-10)15-18-8-11(16)14(19-15)23-2/h5,7-8,10H,3-4,6,9H2,1-2H3
InChIKeyBGFMQWZWXFUWQO-UHFFFAOYSA-N
MW319.34 g/mol
LogP1.46
Rot. Bonds4

About [1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone

[1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone (PubChem CID 135098500) has the molecular formula C15H18FN5O2 and a molecular weight of 319.34 g/mol. Its IUPAC name is [1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name[1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
PubChem CID135098500
Molecular FormulaC15H18FN5O2
Molecular Weight319.34 g/mol
Exact Mass319.14
IUPAC Name[1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
SMILESCOc1nc(N2CCCC(C(=O)c3nccn3C)C2)ncc1F
InChIInChI=1S/C15H18FN5O2/c1-20-7-5-17-13(20)12(22)10-4-3-6-21(9-10)15-18-8-11(16)14(19-15)23-2/h5,7-8,10H,3-4,6,9H2,1-2H3
InChIKeyBGFMQWZWXFUWQO-UHFFFAOYSA-N
XLogP1.46
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(1-methylimidazol-2-yl)-[(3S)-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanone
CID 97197752
(1-methylimidazol-2-yl)-[1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-3-yl]methanone
CID 72850551
[(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 97199860
(1-methylimidazol-2-yl)-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]methanone
CID 70751141
N-[(4-methoxyphenyl)methyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide
CID 119061153
(1-methylimidazol-2-yl)-[(3S)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanone
CID 97279213
(3R)-N-(cyclohexylmethyl)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide
CID 126453049
5-fluoro-4-methoxy-2-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine
CID 134704475
[(3S)-1-[1-(6-fluoro-4-methylquinazolin-2-yl)piperidin-4-yl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 42162830
[1-(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 176501282
(1-methylimidazol-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanone
CID 171914388
1-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]ethanone
CID 104606096

Frequently Asked Questions

What is the IUPAC name of [1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone?
The IUPAC name of [1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone (CID 135098500) is [1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for [1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for [1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone is COc1nc(N2CCCC(C(=O)c3nccn3C)C2)ncc1F.
What is the InChIKey of [1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone?
The InChIKey is BGFMQWZWXFUWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O2/c1-20-7-5-17-13(20)12(22)10-4-3-6-21(9-10)15-18-8-11(16)14(19-15)23-2/h5,7-8,10H,3-4,6,9H2,1-2H3.
What are the key properties of [1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone?
[1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone has a molecular weight of 319.34 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 135098500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).