2-[4-[[5-[[4-[3-cyclopentyl-5-(2-methylpropyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]phenyl]acetic acid

C32H44N4O4 — CID 69493191

About 2-[4-[[5-[[4-[3-cyclopentyl-5-(2-methylpropyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]phenyl]acetic acid

2-[4-[[5-[[4-[3-cyclopentyl-5-(2-methylpropyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]phenyl]acetic acid (PubChem CID 69493191) has the molecular formula C32H44N4O4 and a molecular weight of 548.73 g/mol. Its IUPAC name is 2-[4-[[5-[[4-[3-cyclopentyl-5-(2-methylpropyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]phenyl]acetic acid.

Molecular Properties

• Compound Name: 2-[4-[[5-[[4-[3-cyclopentyl-5-(2-methylpropyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]phenyl]acetic acid
• PubChem CID: 69493191
• Molecular Formula: C32H44N4O4
• Molecular Weight: 548.73 g/mol
• Exact Mass: 548.34
• IUPAC Name: 2-[4-[[5-[[4-[3-cyclopentyl-5-(2-methylpropyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]phenyl]acetic acid
• SMILES: Cc1nc(Oc2ccc(CC(=O)O)cc2)ccc1CN1CCC(N2C(=O)N(C3CCCC3)CC2CC(C)C)CC1
• InChI: InChI=1S/C32H44N4O4/c1-22(2)18-28-21-35(26-6-4-5-7-26)32(39)36(28)27-14-16-34(17-15-27)20-25-10-13-30(33-23(25)3)40-29-11-8-24(9-12-29)19-31(37)38/h8-13,22,26-28H,4-7,14-21H2,1-3H3,(H,37,38)
• InChIKey: UWSUNFYPEMVUGG-UHFFFAOYSA-N
• XLogP: 5.87
• TPSA: 86.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.73
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-[[4-[3-cyclopentyl-5-(2-methylpropyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]phenyl]acetic acid?

The IUPAC name of 2-[4-[[5-[[4-[3-cyclopentyl-5-(2-methylpropyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]phenyl]acetic acid (CID 69493191) is 2-[4-[[5-[[4-[3-cyclopentyl-5-(2-methylpropyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]phenyl]acetic acid.

What is the SMILES notation for 2-[4-[[5-[[4-[3-cyclopentyl-5-(2-methylpropyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]phenyl]acetic acid?

The canonical SMILES for 2-[4-[[5-[[4-[3-cyclopentyl-5-(2-methylpropyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]phenyl]acetic acid is Cc1nc(Oc2ccc(CC(=O)O)cc2)ccc1CN1CCC(N2C(=O)N(C3CCCC3)CC2CC(C)C)CC1.

What is the InChIKey of 2-[4-[[5-[[4-[3-cyclopentyl-5-(2-methylpropyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]phenyl]acetic acid?

The InChIKey is UWSUNFYPEMVUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44N4O4/c1-22(2)18-28-21-35(26-6-4-5-7-26)32(39)36(28)27-14-16-34(17-15-27)20-25-10-13-30(33-23(25)3)40-29-11-8-24(9-12-29)19-31(37)38/h8-13,22,26-28H,4-7,14-21H2,1-3H3,(H,37,38).

What are the key properties of 2-[4-[[5-[[4-[3-cyclopentyl-5-(2-methylpropyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]phenyl]acetic acid?

2-[4-[[5-[[4-[3-cyclopentyl-5-(2-methylpropyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]phenyl]acetic acid has a molecular weight of 548.73 g/mol, XLogP of 5.87, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[5-[[4-[3-cyclopentyl-5-(2-methylpropyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]phenyl]acetic acid is sourced from PubChem (CID 69493191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).