(3S)-3-[(furan-3-ylmethylamino)methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one

C21H28N2O3 — CID 95215168

About (3S)-3-[(furan-3-ylmethylamino)methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one

(3S)-3-[(furan-3-ylmethylamino)methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one (PubChem CID 95215168) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is (3S)-3-[(furan-3-ylmethylamino)methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one.

Molecular Properties

• Compound Name: (3S)-3-[(furan-3-ylmethylamino)methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one
• PubChem CID: 95215168
• Molecular Formula: C21H28N2O3
• Molecular Weight: 356.47 g/mol
• Exact Mass: 356.21
• IUPAC Name: (3S)-3-[(furan-3-ylmethylamino)methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one
• SMILES: CC(C)c1ccc(CN2CCC[C@](O)(CNCc3ccoc3)C2=O)cc1
• InChI: InChI=1S/C21H28N2O3/c1-16(2)19-6-4-17(5-7-19)13-23-10-3-9-21(25,20(23)24)15-22-12-18-8-11-26-14-18/h4-8,11,14,16,22,25H,3,9-10,12-13,15H2,1-2H3/t21-/m0/s1
• InChIKey: WPHQNFYGXUZVOI-NRFANRHFSA-N
• XLogP: 3.05
• TPSA: 65.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.47
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(furan-3-ylmethylamino)methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one?

The IUPAC name of (3S)-3-[(furan-3-ylmethylamino)methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one (CID 95215168) is (3S)-3-[(furan-3-ylmethylamino)methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one.

What is the SMILES notation for (3S)-3-[(furan-3-ylmethylamino)methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one?

The canonical SMILES for (3S)-3-[(furan-3-ylmethylamino)methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one is CC(C)c1ccc(CN2CCC[C@](O)(CNCc3ccoc3)C2=O)cc1.

What is the InChIKey of (3S)-3-[(furan-3-ylmethylamino)methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one?

The InChIKey is WPHQNFYGXUZVOI-NRFANRHFSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-16(2)19-6-4-17(5-7-19)13-23-10-3-9-21(25,20(23)24)15-22-12-18-8-11-26-14-18/h4-8,11,14,16,22,25H,3,9-10,12-13,15H2,1-2H3/t21-/m0/s1.

What are the key properties of (3S)-3-[(furan-3-ylmethylamino)methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one?

(3S)-3-[(furan-3-ylmethylamino)methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one has a molecular weight of 356.47 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-3-[(furan-3-ylmethylamino)methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one is sourced from PubChem (CID 95215168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).