2-methyl-1-(1-methylpyrazol-3-yl)-2-piperidin-1-ylpropan-1-one

C13H21N3O — CID 103130444

IUPAC2-methyl-1-(1-methylpyrazol-3-yl)-2-piperidin-1-ylpropan-1-one
SMILESCn1ccc(C(=O)C(C)(C)N2CCCCC2)n1
InChIInChI=1S/C13H21N3O/c1-13(2,16-8-5-4-6-9-16)12(17)11-7-10-15(3)14-11/h7,10H,4-6,8-9H2,1-3H3
InChIKeyPDCHQAQNINMYSI-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.87
Rot. Bonds3

About 2-methyl-1-(1-methylpyrazol-3-yl)-2-piperidin-1-ylpropan-1-one

2-methyl-1-(1-methylpyrazol-3-yl)-2-piperidin-1-ylpropan-1-one (PubChem CID 103130444) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-methyl-1-(1-methylpyrazol-3-yl)-2-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-(1-methylpyrazol-3-yl)-2-piperidin-1-ylpropan-1-one
PubChem CID103130444
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-methyl-1-(1-methylpyrazol-3-yl)-2-piperidin-1-ylpropan-1-one
SMILESCn1ccc(C(=O)C(C)(C)N2CCCCC2)n1
InChIInChI=1S/C13H21N3O/c1-13(2,16-8-5-4-6-9-16)12(17)11-7-10-15(3)14-11/h7,10H,4-6,8-9H2,1-3H3
InChIKeyPDCHQAQNINMYSI-UHFFFAOYSA-N
XLogP1.87
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-methylpyrazol-3-yl)-2-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-methyl-1-(1-methylpyrazol-3-yl)-2-piperidin-1-ylpropan-1-one (CID 103130444) is 2-methyl-1-(1-methylpyrazol-3-yl)-2-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-methyl-1-(1-methylpyrazol-3-yl)-2-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-methyl-1-(1-methylpyrazol-3-yl)-2-piperidin-1-ylpropan-1-one is Cn1ccc(C(=O)C(C)(C)N2CCCCC2)n1.
What is the InChIKey of 2-methyl-1-(1-methylpyrazol-3-yl)-2-piperidin-1-ylpropan-1-one?
The InChIKey is PDCHQAQNINMYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-13(2,16-8-5-4-6-9-16)12(17)11-7-10-15(3)14-11/h7,10H,4-6,8-9H2,1-3H3.
What are the key properties of 2-methyl-1-(1-methylpyrazol-3-yl)-2-piperidin-1-ylpropan-1-one?
2-methyl-1-(1-methylpyrazol-3-yl)-2-piperidin-1-ylpropan-1-one has a molecular weight of 235.33 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-methylpyrazol-3-yl)-2-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 103130444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).