1-[3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one

C18H22N4O — CID 110252451

IUPAC1-[3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC(c2cc(-c3cncnc3)cc(C)n2)C1
InChIInChI=1S/C18H22N4O/c1-3-18(23)22-6-4-5-14(11-22)17-8-15(7-13(2)21-17)16-9-19-12-20-10-16/h7-10,12,14H,3-6,11H2,1-2H3
InChIKeyIQKRYAXQKRSNKE-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.96
Rot. Bonds3

About 1-[3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one

1-[3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one (PubChem CID 110252451) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one
PubChem CID110252451
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name1-[3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC(c2cc(-c3cncnc3)cc(C)n2)C1
InChIInChI=1S/C18H22N4O/c1-3-18(23)22-6-4-5-14(11-22)17-8-15(7-13(2)21-17)16-9-19-12-20-10-16/h7-10,12,14H,3-6,11H2,1-2H3
InChIKeyIQKRYAXQKRSNKE-UHFFFAOYSA-N
XLogP2.96
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-hydroxycyclohexyl)-1-[(3R)-3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)pyrrolidin-1-yl]ethanone
CID 95834644
(2-methyl-1,3-benzothiazol-6-yl)-[3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone
CID 110252485
1-[3-(5-methylimidazo[1,5-c]pyrimidin-7-yl)piperidin-1-yl]propan-1-one
CID 110131584
2-(2-amino-1,3-benzothiazol-6-yl)-1-[(3S)-3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)pyrrolidin-1-yl]ethanone
CID 95834637
cyclopentyl-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]methanone
CID 124980635
4-(azepan-1-yl)-1-[(2S)-2-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]butan-1-one
CID 125011261
4-methyl-2-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one
CID 136804079
1-[(3S)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 95813929
3-(2-ethylimidazol-1-yl)-1-[4-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one
CID 92617351
(1-methylpyrazol-4-yl)-[4-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone
CID 92615374
2-[[(3R)-3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methyl]-1-propan-2-ylbenzimidazole
CID 95813947
(1,3-dimethylpyrazol-4-yl)-[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methanone
CID 95813935

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one (CID 110252451) is 1-[3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one is CCC(=O)N1CCCC(c2cc(-c3cncnc3)cc(C)n2)C1.
What is the InChIKey of 1-[3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one?
The InChIKey is IQKRYAXQKRSNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-3-18(23)22-6-4-5-14(11-22)17-8-15(7-13(2)21-17)16-9-19-12-20-10-16/h7-10,12,14H,3-6,11H2,1-2H3.
What are the key properties of 1-[3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one?
1-[3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one has a molecular weight of 310.40 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 110252451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).