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

C20H31N3O3 — CID 95225297

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

3-[[(3S)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methyl-methylamino]propanamide (PubChem CID 95225297) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 3-[[(3S)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methyl-methylamino]propanamide.

Molecular Properties

• Compound Name: 3-[[(3S)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methyl-methylamino]propanamide
• PubChem CID: 95225297
• Molecular Formula: C20H31N3O3
• Molecular Weight: 361.49 g/mol
• Exact Mass: 361.24
• IUPAC Name: 3-[[(3S)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methyl-methylamino]propanamide
• SMILES: CC(C)c1ccc(CN2CCC[C@](O)(CN(C)CCC(N)=O)C2=O)cc1
• InChI: InChI=1S/C20H31N3O3/c1-15(2)17-7-5-16(6-8-17)13-23-11-4-10-20(26,19(23)25)14-22(3)12-9-18(21)24/h5-8,15,26H,4,9-14H2,1-3H3,(H2,21,24)/t20-/m0/s1
• InChIKey: HCBVAMHNJFWKCA-FQEVSTJZSA-N
• XLogP: 1.47
• TPSA: 86.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.49
LogP ≤ 5	1.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-[[(3S)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methyl-methylamino]propanamide (CID 95225297) is 3-[[(3S)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methyl-methylamino]propanamide.

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

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

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

The InChIKey is HCBVAMHNJFWKCA-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-15(2)17-7-5-16(6-8-17)13-23-11-4-10-20(26,19(23)25)14-22(3)12-9-18(21)24/h5-8,15,26H,4,9-14H2,1-3H3,(H2,21,24)/t20-/m0/s1.

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

3-[[(3S)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methyl-methylamino]propanamide has a molecular weight of 361.49 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[(3S)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methyl-methylamino]propanamide is sourced from PubChem (CID 95225297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).