(3R)-3-hydroxy-3-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one

C21H34N2O3 — CID 95205822

About (3R)-3-hydroxy-3-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one

(3R)-3-hydroxy-3-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one (PubChem CID 95205822) has the molecular formula C21H34N2O3 and a molecular weight of 362.51 g/mol. Its IUPAC name is (3R)-3-hydroxy-3-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one.

Molecular Properties

• Compound Name: (3R)-3-hydroxy-3-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one
• PubChem CID: 95205822
• Molecular Formula: C21H34N2O3
• Molecular Weight: 362.51 g/mol
• Exact Mass: 362.26
• IUPAC Name: (3R)-3-hydroxy-3-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one
• SMILES: COCC(C)(C)NC[C@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O
• InChI: InChI=1S/C21H34N2O3/c1-16(2)18-9-7-17(8-10-18)13-23-12-6-11-21(25,19(23)24)14-22-20(3,4)15-26-5/h7-10,16,22,25H,6,11-15H2,1-5H3/t21-/m1/s1
• InChIKey: RNADKYIAOLBNMY-OAQYLSRUSA-N
• XLogP: 2.68
• TPSA: 61.80 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	362.51
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-3-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one?

The IUPAC name of (3R)-3-hydroxy-3-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one (CID 95205822) is (3R)-3-hydroxy-3-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one.

What is the SMILES notation for (3R)-3-hydroxy-3-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one?

The canonical SMILES for (3R)-3-hydroxy-3-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one is COCC(C)(C)NC[C@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O.

What is the InChIKey of (3R)-3-hydroxy-3-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one?

The InChIKey is RNADKYIAOLBNMY-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H34N2O3/c1-16(2)18-9-7-17(8-10-18)13-23-12-6-11-21(25,19(23)24)14-22-20(3,4)15-26-5/h7-10,16,22,25H,6,11-15H2,1-5H3/t21-/m1/s1.

What are the key properties of (3R)-3-hydroxy-3-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one?

(3R)-3-hydroxy-3-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one has a molecular weight of 362.51 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-hydroxy-3-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one is sourced from PubChem (CID 95205822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).