3-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)propanamide

C22H29N3O2 — CID 50954060

IUPAC3-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(NC(=O)CCN2CCC(O)(c3ccccn3)CC2)cc1
InChIInChI=1S/C22H29N3O2/c1-17(2)18-6-8-19(9-7-18)24-21(26)10-14-25-15-11-22(27,12-16-25)20-5-3-4-13-23-20/h3-9,13,17,27H,10-12,14-16H2,1-2H3,(H,24,26)
InChIKeyMOIUYUQMBIHGMP-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.52
Rot. Bonds6

About 3-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)propanamide

3-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 50954060) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 3-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)propanamide
PubChem CID50954060
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name3-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(NC(=O)CCN2CCC(O)(c3ccccn3)CC2)cc1
InChIInChI=1S/C22H29N3O2/c1-17(2)18-6-8-19(9-7-18)24-21(26)10-14-25-15-11-22(27,12-16-25)20-5-3-4-13-23-20/h3-9,13,17,27H,10-12,14-16H2,1-2H3,(H,24,26)
InChIKeyMOIUYUQMBIHGMP-UHFFFAOYSA-N
XLogP3.52
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)propanamide 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 3-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)propanamide (CID 50954060) is 3-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)propanamide is CC(C)c1ccc(NC(=O)CCN2CCC(O)(c3ccccn3)CC2)cc1.
What is the InChIKey of 3-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is MOIUYUQMBIHGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-17(2)18-6-8-19(9-7-18)24-21(26)10-14-25-15-11-22(27,12-16-25)20-5-3-4-13-23-20/h3-9,13,17,27H,10-12,14-16H2,1-2H3,(H,24,26).
What are the key properties of 3-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)propanamide?
3-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 367.49 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 50954060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).