2-piperidin-4-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;hydrochloride

C13H23ClN4O — CID 119688873

IUPAC2-piperidin-4-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;hydrochloride
SMILESCc1nn(C)c(C)c1NC(=O)CC1CCNCC1.Cl
InChIInChI=1S/C13H22N4O.ClH/c1-9-13(10(2)17(3)16-9)15-12(18)8-11-4-6-14-7-5-11;/h11,14H,4-8H2,1-3H3,(H,15,18);1H
InChIKeyXGBWCBQUZNEYFN-UHFFFAOYSA-N
MW286.81 g/mol
LogP1.79
Rot. Bonds3

About 2-piperidin-4-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;hydrochloride

2-piperidin-4-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;hydrochloride (PubChem CID 119688873) has the molecular formula C13H23ClN4O and a molecular weight of 286.81 g/mol. Its IUPAC name is 2-piperidin-4-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-piperidin-4-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;hydrochloride
PubChem CID119688873
Molecular FormulaC13H23ClN4O
Molecular Weight286.81 g/mol
Exact Mass286.16
IUPAC Name2-piperidin-4-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;hydrochloride
SMILESCc1nn(C)c(C)c1NC(=O)CC1CCNCC1.Cl
InChIInChI=1S/C13H22N4O.ClH/c1-9-13(10(2)17(3)16-9)15-12(18)8-11-4-6-14-7-5-11;/h11,14H,4-8H2,1-3H3,(H,15,18);1H
InChIKeyXGBWCBQUZNEYFN-UHFFFAOYSA-N
XLogP1.79
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-piperidin-4-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;hydrochloride (CID 119688873) is 2-piperidin-4-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-piperidin-4-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-piperidin-4-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;hydrochloride is Cc1nn(C)c(C)c1NC(=O)CC1CCNCC1.Cl.
What is the InChIKey of 2-piperidin-4-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;hydrochloride?
The InChIKey is XGBWCBQUZNEYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O.ClH/c1-9-13(10(2)17(3)16-9)15-12(18)8-11-4-6-14-7-5-11;/h11,14H,4-8H2,1-3H3,(H,15,18);1H.
What are the key properties of 2-piperidin-4-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;hydrochloride?
2-piperidin-4-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;hydrochloride has a molecular weight of 286.81 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 119688873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).