(4-benzyl-4-hydroxypiperidin-1-yl)-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)methanone

C22H24N4O2 — CID 89485449

IUPAC(4-benzyl-4-hydroxypiperidin-1-yl)-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)methanone
SMILESCc1[nH]nc(-c2ccncc2)c1C(=O)N1CCC(O)(Cc2ccccc2)CC1
InChIInChI=1S/C22H24N4O2/c1-16-19(20(25-24-16)18-7-11-23-12-8-18)21(27)26-13-9-22(28,10-14-26)15-17-5-3-2-4-6-17/h2-8,11-12,28H,9-10,13-15H2,1H3,(H,24,25)
InChIKeyLOGBQZVAAMCZMG-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.99
Rot. Bonds4

About (4-benzyl-4-hydroxypiperidin-1-yl)-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)methanone

(4-benzyl-4-hydroxypiperidin-1-yl)-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)methanone (PubChem CID 89485449) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is (4-benzyl-4-hydroxypiperidin-1-yl)-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name(4-benzyl-4-hydroxypiperidin-1-yl)-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)methanone
PubChem CID89485449
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name(4-benzyl-4-hydroxypiperidin-1-yl)-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)methanone
SMILESCc1[nH]nc(-c2ccncc2)c1C(=O)N1CCC(O)(Cc2ccccc2)CC1
InChIInChI=1S/C22H24N4O2/c1-16-19(20(25-24-16)18-7-11-23-12-8-18)21(27)26-13-9-22(28,10-14-26)15-17-5-3-2-4-6-17/h2-8,11-12,28H,9-10,13-15H2,1H3,(H,24,25)
InChIKeyLOGBQZVAAMCZMG-UHFFFAOYSA-N
XLogP2.99
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-benzyl-4-hydroxypiperidin-1-yl)-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)methanone?
The IUPAC name of (4-benzyl-4-hydroxypiperidin-1-yl)-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)methanone (CID 89485449) is (4-benzyl-4-hydroxypiperidin-1-yl)-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)methanone.
What is the SMILES notation for (4-benzyl-4-hydroxypiperidin-1-yl)-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)methanone?
The canonical SMILES for (4-benzyl-4-hydroxypiperidin-1-yl)-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)methanone is Cc1[nH]nc(-c2ccncc2)c1C(=O)N1CCC(O)(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzyl-4-hydroxypiperidin-1-yl)-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)methanone?
The InChIKey is LOGBQZVAAMCZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-16-19(20(25-24-16)18-7-11-23-12-8-18)21(27)26-13-9-22(28,10-14-26)15-17-5-3-2-4-6-17/h2-8,11-12,28H,9-10,13-15H2,1H3,(H,24,25).
What are the key properties of (4-benzyl-4-hydroxypiperidin-1-yl)-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)methanone?
(4-benzyl-4-hydroxypiperidin-1-yl)-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)methanone has a molecular weight of 376.46 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzyl-4-hydroxypiperidin-1-yl)-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 89485449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).