cyclobutyl-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

C14H21N3O — CID 73439424

IUPACcyclobutyl-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCc1cn[nH]c1C1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C14H21N3O/c1-10-9-15-16-13(10)11-5-7-17(8-6-11)14(18)12-3-2-4-12/h9,11-12H,2-8H2,1H3,(H,15,16)
InChIKeyFKJQOPOUMYOJJF-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.22
Rot. Bonds2

About cyclobutyl-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

cyclobutyl-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 73439424) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is cyclobutyl-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID73439424
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Namecyclobutyl-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCc1cn[nH]c1C1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C14H21N3O/c1-10-9-15-16-13(10)11-5-7-17(8-6-11)14(18)12-3-2-4-12/h9,11-12H,2-8H2,1H3,(H,15,16)
InChIKeyFKJQOPOUMYOJJF-UHFFFAOYSA-N
XLogP2.22
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 73439424) is cyclobutyl-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is Cc1cn[nH]c1C1CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of cyclobutyl-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is FKJQOPOUMYOJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-9-15-16-13(10)11-5-7-17(8-6-11)14(18)12-3-2-4-12/h9,11-12H,2-8H2,1H3,(H,15,16).
What are the key properties of cyclobutyl-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
cyclobutyl-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 247.34 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 73439424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).