1-[3-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanone

C14H21N3O — CID 73440134

IUPAC1-[3-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(Cc2nc(C)cc(C)n2)C1
InChIInChI=1S/C14H21N3O/c1-10-7-11(2)16-14(15-10)8-13-5-4-6-17(9-13)12(3)18/h7,13H,4-6,8-9H2,1-3H3
InChIKeyIFILYSXGKOXPSN-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.89
Rot. Bonds2

About 1-[3-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanone

1-[3-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 73440134) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[3-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanone
PubChem CID73440134
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-[3-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(Cc2nc(C)cc(C)n2)C1
InChIInChI=1S/C14H21N3O/c1-10-7-11(2)16-14(15-10)8-13-5-4-6-17(9-13)12(3)18/h7,13H,4-6,8-9H2,1-3H3
InChIKeyIFILYSXGKOXPSN-UHFFFAOYSA-N
XLogP1.89
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanol
CID 110089825
1-[(3S)-3-[(6-chloropyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 95804488
tert-butyl (3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidine-1-carboxylate
CID 146286115
1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 110269232
1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 110254207
1-[3-[[2-(4-methyl-1,3-thiazol-2-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 110100353
1-[(3S)-3-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 95846939
6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridazine-3-carboxylic acid
CID 95804599
6-[(1-acetylpiperidin-3-yl)methyl]pyridazine-3-carboxylic acid
CID 110246143
1-[4-[6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridazin-3-yl]piperazin-1-yl]ethanone
CID 95846960
1-[(3R)-3-[(6-chloro-3-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 95804473
1-[(3R)-3-[[5-(propan-2-ylamino)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 95846503

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanone (CID 73440134) is 1-[3-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanone is CC(=O)N1CCCC(Cc2nc(C)cc(C)n2)C1.
What is the InChIKey of 1-[3-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is IFILYSXGKOXPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-7-11(2)16-14(15-10)8-13-5-4-6-17(9-13)12(3)18/h7,13H,4-6,8-9H2,1-3H3.
What are the key properties of 1-[3-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanone?
1-[3-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 247.34 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 73440134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).