[1-(5-hydroxypyridine-3-carbonyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone

C21H24N2O3 — CID 162653614

IUPAC[1-(5-hydroxypyridine-3-carbonyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)C2CCN(C(=O)c3cncc(O)c3)CC2)cc1
InChIInChI=1S/C21H24N2O3/c1-14(2)15-3-5-16(6-4-15)20(25)17-7-9-23(10-8-17)21(26)18-11-19(24)13-22-12-18/h3-6,11-14,17,24H,7-10H2,1-2H3
InChIKeyNIMLENUAKZSSQY-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.65
Rot. Bonds4

About [1-(5-hydroxypyridine-3-carbonyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone

[1-(5-hydroxypyridine-3-carbonyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone (PubChem CID 162653614) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is [1-(5-hydroxypyridine-3-carbonyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name[1-(5-hydroxypyridine-3-carbonyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone
PubChem CID162653614
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name[1-(5-hydroxypyridine-3-carbonyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)C2CCN(C(=O)c3cncc(O)c3)CC2)cc1
InChIInChI=1S/C21H24N2O3/c1-14(2)15-3-5-16(6-4-15)20(25)17-7-9-23(10-8-17)21(26)18-11-19(24)13-22-12-18/h3-6,11-14,17,24H,7-10H2,1-2H3
InChIKeyNIMLENUAKZSSQY-UHFFFAOYSA-N
XLogP3.65
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(5-hydroxypyridine-3-carbonyl)piperidin-4-yl]-(4-propan-2-ylphenyl)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 [1-(5-hydroxypyridine-3-carbonyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone?
The IUPAC name of [1-(5-hydroxypyridine-3-carbonyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone (CID 162653614) is [1-(5-hydroxypyridine-3-carbonyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for [1-(5-hydroxypyridine-3-carbonyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for [1-(5-hydroxypyridine-3-carbonyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone is CC(C)c1ccc(C(=O)C2CCN(C(=O)c3cncc(O)c3)CC2)cc1.
What is the InChIKey of [1-(5-hydroxypyridine-3-carbonyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone?
The InChIKey is NIMLENUAKZSSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-14(2)15-3-5-16(6-4-15)20(25)17-7-9-23(10-8-17)21(26)18-11-19(24)13-22-12-18/h3-6,11-14,17,24H,7-10H2,1-2H3.
What are the key properties of [1-(5-hydroxypyridine-3-carbonyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone?
[1-(5-hydroxypyridine-3-carbonyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone has a molecular weight of 352.43 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-hydroxypyridine-3-carbonyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 162653614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).