(4R)-3-[1-[1-(6-chloro-2,4-dimethylpyridine-3-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-1-cyclohexyl-4-phenylimidazolidin-2-one

C34H46ClN5O2 — CID 72712598

About (4R)-3-[1-[1-(6-chloro-2,4-dimethylpyridine-3-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-1-cyclohexyl-4-phenylimidazolidin-2-one

(4R)-3-[1-[1-(6-chloro-2,4-dimethylpyridine-3-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-1-cyclohexyl-4-phenylimidazolidin-2-one (PubChem CID 72712598) has the molecular formula C34H46ClN5O2 and a molecular weight of 592.23 g/mol. Its IUPAC name is (4R)-3-[1-[1-(6-chloro-2,4-dimethylpyridine-3-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-1-cyclohexyl-4-phenylimidazolidin-2-one.

Molecular Properties

• Compound Name: (4R)-3-[1-[1-(6-chloro-2,4-dimethylpyridine-3-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-1-cyclohexyl-4-phenylimidazolidin-2-one
• PubChem CID: 72712598
• Molecular Formula: C34H46ClN5O2
• Molecular Weight: 592.23 g/mol
• Exact Mass: 591.33
• IUPAC Name: (4R)-3-[1-[1-(6-chloro-2,4-dimethylpyridine-3-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-1-cyclohexyl-4-phenylimidazolidin-2-one
• SMILES: Cc1cc(Cl)nc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(C4CCCCC4)C[C@H]3c3ccccc3)CC2)CC1
• InChI: InChI=1S/C34H46ClN5O2/c1-24-22-30(35)36-25(2)31(24)32(41)37-20-16-34(3,17-21-37)38-18-14-28(15-19-38)40-29(26-10-6-4-7-11-26)23-39(33(40)42)27-12-8-5-9-13-27/h4,6-7,10-11,22,27-29H,5,8-9,12-21,23H2,1-3H3/t29-/m0/s1
• InChIKey: DVECZYIFQCYTKG-LJAQVGFWSA-N
• XLogP: 6.62
• TPSA: 59.99 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	592.23
LogP ≤ 5	6.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[1-[1-(6-chloro-2,4-dimethylpyridine-3-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-1-cyclohexyl-4-phenylimidazolidin-2-one?

The IUPAC name of (4R)-3-[1-[1-(6-chloro-2,4-dimethylpyridine-3-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-1-cyclohexyl-4-phenylimidazolidin-2-one (CID 72712598) is (4R)-3-[1-[1-(6-chloro-2,4-dimethylpyridine-3-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-1-cyclohexyl-4-phenylimidazolidin-2-one.

What is the SMILES notation for (4R)-3-[1-[1-(6-chloro-2,4-dimethylpyridine-3-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-1-cyclohexyl-4-phenylimidazolidin-2-one?

The canonical SMILES for (4R)-3-[1-[1-(6-chloro-2,4-dimethylpyridine-3-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-1-cyclohexyl-4-phenylimidazolidin-2-one is Cc1cc(Cl)nc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(C4CCCCC4)C[C@H]3c3ccccc3)CC2)CC1.

What is the InChIKey of (4R)-3-[1-[1-(6-chloro-2,4-dimethylpyridine-3-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-1-cyclohexyl-4-phenylimidazolidin-2-one?

The InChIKey is DVECZYIFQCYTKG-LJAQVGFWSA-N. The full InChI is InChI=1S/C34H46ClN5O2/c1-24-22-30(35)36-25(2)31(24)32(41)37-20-16-34(3,17-21-37)38-18-14-28(15-19-38)40-29(26-10-6-4-7-11-26)23-39(33(40)42)27-12-8-5-9-13-27/h4,6-7,10-11,22,27-29H,5,8-9,12-21,23H2,1-3H3/t29-/m0/s1.

What are the key properties of (4R)-3-[1-[1-(6-chloro-2,4-dimethylpyridine-3-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-1-cyclohexyl-4-phenylimidazolidin-2-one?

(4R)-3-[1-[1-(6-chloro-2,4-dimethylpyridine-3-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-1-cyclohexyl-4-phenylimidazolidin-2-one has a molecular weight of 592.23 g/mol, XLogP of 6.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-3-[1-[1-(6-chloro-2,4-dimethylpyridine-3-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-1-cyclohexyl-4-phenylimidazolidin-2-one is sourced from PubChem (CID 72712598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).