3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]propan-1-one

C19H27N5O2 — CID 122260474

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]propan-1-one
SMILESCc1cc(OC2CCCN(C(=O)CCc3c(C)n[nH]c3C)C2)nc(C)n1
InChIInChI=1S/C19H27N5O2/c1-12-10-18(21-15(4)20-12)26-16-6-5-9-24(11-16)19(25)8-7-17-13(2)22-23-14(17)3/h10,16H,5-9,11H2,1-4H3,(H,22,23)
InChIKeyLHYVVWQJCUDHOE-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.44
Rot. Bonds5

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]propan-1-one

3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]propan-1-one (PubChem CID 122260474) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]propan-1-one
PubChem CID122260474
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]propan-1-one
SMILESCc1cc(OC2CCCN(C(=O)CCc3c(C)n[nH]c3C)C2)nc(C)n1
InChIInChI=1S/C19H27N5O2/c1-12-10-18(21-15(4)20-12)26-16-6-5-9-24(11-16)19(25)8-7-17-13(2)22-23-14(17)3/h10,16H,5-9,11H2,1-4H3,(H,22,23)
InChIKeyLHYVVWQJCUDHOE-UHFFFAOYSA-N
XLogP2.44
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3-phenylpropan-1-one
CID 122260320
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one
CID 122257483
1-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one
CID 122259514
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 122161131
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-phenoxyethanone
CID 122161113
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-pyrrol-1-ylethanone
CID 122260410
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-quinolin-2-yloxypyrrolidin-1-yl)propan-1-one
CID 91815868
N-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 122260395
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 122260312
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3-methylpentan-1-one
CID 122260439
2-(4-chlorophenoxy)-1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122260293
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid
CID 84613412

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]propan-1-one?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]propan-1-one (CID 122260474) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]propan-1-one is Cc1cc(OC2CCCN(C(=O)CCc3c(C)n[nH]c3C)C2)nc(C)n1.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]propan-1-one?
The InChIKey is LHYVVWQJCUDHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-12-10-18(21-15(4)20-12)26-16-6-5-9-24(11-16)19(25)8-7-17-13(2)22-23-14(17)3/h10,16H,5-9,11H2,1-4H3,(H,22,23).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]propan-1-one?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]propan-1-one has a molecular weight of 357.46 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]propan-1-one is sourced from PubChem (CID 122260474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).