[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone

C21H22N4O2 — CID 16677059

IUPAC[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone
SMILESCc1cccc(C2(O)CCN(C(=O)c3cc(-c4ccccn4)n[nH]3)CC2)c1
InChIInChI=1S/C21H22N4O2/c1-15-5-4-6-16(13-15)21(27)8-11-25(12-9-21)20(26)19-14-18(23-24-19)17-7-2-3-10-22-17/h2-7,10,13-14,27H,8-9,11-12H2,1H3,(H,23,24)
InChIKeyMXRZNPVNCGZONH-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.90
Rot. Bonds3

About [4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone

[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone (PubChem CID 16677059) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is [4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone
PubChem CID16677059
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone
SMILESCc1cccc(C2(O)CCN(C(=O)c3cc(-c4ccccn4)n[nH]3)CC2)c1
InChIInChI=1S/C21H22N4O2/c1-15-5-4-6-16(13-15)21(27)8-11-25(12-9-21)20(26)19-14-18(23-24-19)17-7-2-3-10-22-17/h2-7,10,13-14,27H,8-9,11-12H2,1H3,(H,23,24)
InChIKeyMXRZNPVNCGZONH-UHFFFAOYSA-N
XLogP2.90
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone?
The IUPAC name of [4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone (CID 16677059) is [4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone?
The canonical SMILES for [4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone is Cc1cccc(C2(O)CCN(C(=O)c3cc(-c4ccccn4)n[nH]3)CC2)c1.
What is the InChIKey of [4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone?
The InChIKey is MXRZNPVNCGZONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-15-5-4-6-16(13-15)21(27)8-11-25(12-9-21)20(26)19-14-18(23-24-19)17-7-2-3-10-22-17/h2-7,10,13-14,27H,8-9,11-12H2,1H3,(H,23,24).
What are the key properties of [4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone?
[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone has a molecular weight of 362.43 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 16677059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).