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

C22H32N4O2 — CID 95189027

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

(3R)-3-[[(1-ethylimidazol-2-yl)methylamino]methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one (PubChem CID 95189027) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is (3R)-3-[[(1-ethylimidazol-2-yl)methylamino]methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one.

Molecular Properties

• Compound Name: (3R)-3-[[(1-ethylimidazol-2-yl)methylamino]methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one
• PubChem CID: 95189027
• Molecular Formula: C22H32N4O2
• Molecular Weight: 384.52 g/mol
• Exact Mass: 384.25
• IUPAC Name: (3R)-3-[[(1-ethylimidazol-2-yl)methylamino]methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one
• SMILES: CCn1ccnc1CNC[C@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O
• InChI: InChI=1S/C22H32N4O2/c1-4-25-13-11-24-20(25)14-23-16-22(28)10-5-12-26(21(22)27)15-18-6-8-19(9-7-18)17(2)3/h6-9,11,13,17,23,28H,4-5,10,12,14-16H2,1-3H3/t22-/m1/s1
• InChIKey: XXECLWZFSCSPKD-JOCHJYFZSA-N
• XLogP: 2.67
• TPSA: 70.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.52
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (3R)-3-[[(1-ethylimidazol-2-yl)methylamino]methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one (CID 95189027) is (3R)-3-[[(1-ethylimidazol-2-yl)methylamino]methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one.

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

The canonical SMILES for (3R)-3-[[(1-ethylimidazol-2-yl)methylamino]methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one is CCn1ccnc1CNC[C@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O.

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

The InChIKey is XXECLWZFSCSPKD-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-4-25-13-11-24-20(25)14-23-16-22(28)10-5-12-26(21(22)27)15-18-6-8-19(9-7-18)17(2)3/h6-9,11,13,17,23,28H,4-5,10,12,14-16H2,1-3H3/t22-/m1/s1.

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

(3R)-3-[[(1-ethylimidazol-2-yl)methylamino]methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one has a molecular weight of 384.52 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[[(1-ethylimidazol-2-yl)methylamino]methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one is sourced from PubChem (CID 95189027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).