3-[[(3R)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]propanamide

C19H29N3O3 — CID 95394237

About 3-[[(3R)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]propanamide

3-[[(3R)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]propanamide (PubChem CID 95394237) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-[[(3R)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]propanamide.

Molecular Properties

• Compound Name: 3-[[(3R)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]propanamide
• PubChem CID: 95394237
• Molecular Formula: C19H29N3O3
• Molecular Weight: 347.46 g/mol
• Exact Mass: 347.22
• IUPAC Name: 3-[[(3R)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]propanamide
• SMILES: CC(C)c1ccc(CN2CCC[C@@](O)(CNCCC(N)=O)C2=O)cc1
• InChI: InChI=1S/C19H29N3O3/c1-14(2)16-6-4-15(5-7-16)12-22-11-3-9-19(25,18(22)24)13-21-10-8-17(20)23/h4-7,14,21,25H,3,8-13H2,1-2H3,(H2,20,23)/t19-/m1/s1
• InChIKey: YXVBROWBJHGADZ-LJQANCHMSA-N
• XLogP: 1.13
• TPSA: 95.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.46
LogP ≤ 5	1.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[(3R)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]propanamide?

The IUPAC name of 3-[[(3R)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]propanamide (CID 95394237) is 3-[[(3R)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]propanamide.

What is the SMILES notation for 3-[[(3R)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]propanamide?

The canonical SMILES for 3-[[(3R)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]propanamide is CC(C)c1ccc(CN2CCC[C@@](O)(CNCCC(N)=O)C2=O)cc1.

What is the InChIKey of 3-[[(3R)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]propanamide?

The InChIKey is YXVBROWBJHGADZ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-14(2)16-6-4-15(5-7-16)12-22-11-3-9-19(25,18(22)24)13-21-10-8-17(20)23/h4-7,14,21,25H,3,8-13H2,1-2H3,(H2,20,23)/t19-/m1/s1.

What are the key properties of 3-[[(3R)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]propanamide?

3-[[(3R)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]propanamide has a molecular weight of 347.46 g/mol, XLogP of 1.13, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[(3R)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]propanamide is sourced from PubChem (CID 95394237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).