1-[(2R)-2-hydroxycyclohexyl]-3-[[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one

C34H43N5O5 — CID 59292773

About 1-[(2R)-2-hydroxycyclohexyl]-3-[[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one

1-[(2R)-2-hydroxycyclohexyl]-3-[[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one (PubChem CID 59292773) has the molecular formula C34H43N5O5 and a molecular weight of 601.75 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxycyclohexyl]-3-[[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one.

Molecular Properties

• Compound Name: 1-[(2R)-2-hydroxycyclohexyl]-3-[[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one
• PubChem CID: 59292773
• Molecular Formula: C34H43N5O5
• Molecular Weight: 601.75 g/mol
• Exact Mass: 601.33
• IUPAC Name: 1-[(2R)-2-hydroxycyclohexyl]-3-[[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one
• SMILES: O=C(COc1cccc(Cn2c(C(=O)N3CCNCC3)c(-c3ccccc3)n(C3CCCC[C@H]3O)c2=O)c1)N1CCCCC1
• InChI: InChI=1S/C34H43N5O5/c40-29-15-6-5-14-28(29)39-31(26-11-3-1-4-12-26)32(33(42)37-20-16-35-17-21-37)38(34(39)43)23-25-10-9-13-27(22-25)44-24-30(41)36-18-7-2-8-19-36/h1,3-4,9-13,22,28-29,35,40H,2,5-8,14-21,23-24H2/t28?,29-/m1/s1
• InChIKey: BRCAGKUALMTIJH-YPJJGMIRSA-N
• XLogP: 3.28
• TPSA: 109.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	601.75
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxycyclohexyl]-3-[[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one?

The IUPAC name of 1-[(2R)-2-hydroxycyclohexyl]-3-[[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one (CID 59292773) is 1-[(2R)-2-hydroxycyclohexyl]-3-[[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one.

What is the SMILES notation for 1-[(2R)-2-hydroxycyclohexyl]-3-[[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one?

The canonical SMILES for 1-[(2R)-2-hydroxycyclohexyl]-3-[[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one is O=C(COc1cccc(Cn2c(C(=O)N3CCNCC3)c(-c3ccccc3)n(C3CCCC[C@H]3O)c2=O)c1)N1CCCCC1.

What is the InChIKey of 1-[(2R)-2-hydroxycyclohexyl]-3-[[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one?

The InChIKey is BRCAGKUALMTIJH-YPJJGMIRSA-N. The full InChI is InChI=1S/C34H43N5O5/c40-29-15-6-5-14-28(29)39-31(26-11-3-1-4-12-26)32(33(42)37-20-16-35-17-21-37)38(34(39)43)23-25-10-9-13-27(22-25)44-24-30(41)36-18-7-2-8-19-36/h1,3-4,9-13,22,28-29,35,40H,2,5-8,14-21,23-24H2/t28?,29-/m1/s1.

What are the key properties of 1-[(2R)-2-hydroxycyclohexyl]-3-[[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one?

1-[(2R)-2-hydroxycyclohexyl]-3-[[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one has a molecular weight of 601.75 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-2-hydroxycyclohexyl]-3-[[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one is sourced from PubChem (CID 59292773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).