4-[1-[5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-pyridinyl]-2-methylpropan-2-yl]oxypiperidine-1-carboxylic acid

C34H37N3O5 — CID 175555659

About 4-[1-[5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-pyridinyl]-2-methylpropan-2-yl]oxypiperidine-1-carboxylic acid

4-[1-[5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-pyridinyl]-2-methylpropan-2-yl]oxypiperidine-1-carboxylic acid (PubChem CID 175555659) has the molecular formula C34H37N3O5 and a molecular weight of 567.69 g/mol. Its IUPAC name is 4-[1-[5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-pyridinyl]-2-methylpropan-2-yl]oxypiperidine-1-carboxylic acid.

Molecular Properties

• Compound Name: 4-[1-[5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-pyridinyl]-2-methylpropan-2-yl]oxypiperidine-1-carboxylic acid
• PubChem CID: 175555659
• Molecular Formula: C34H37N3O5
• Molecular Weight: 567.69 g/mol
• Exact Mass: 567.27
• IUPAC Name: 4-[1-[5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-pyridinyl]-2-methylpropan-2-yl]oxypiperidine-1-carboxylic acid
• SMILES: CC(C)(Cc1ccc(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)cn1)OC1CCN(C(=O)O)CC1
• InChI: InChI=1S/C34H37N3O5/c1-34(2,42-29-17-19-37(20-18-29)33(38)39)21-28-14-13-27(22-35-28)30-15-16-31(40-23-25-9-5-3-6-10-25)36-32(30)41-24-26-11-7-4-8-12-26/h3-16,22,29H,17-21,23-24H2,1-2H3,(H,38,39)
• InChIKey: RDSQBIVAGVBJPS-UHFFFAOYSA-N
• XLogP: 6.78
• TPSA: 94.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.69
LogP ≤ 5	6.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[1-[5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-pyridinyl]-2-methylpropan-2-yl]oxypiperidine-1-carboxylic acid?

The IUPAC name of 4-[1-[5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-pyridinyl]-2-methylpropan-2-yl]oxypiperidine-1-carboxylic acid (CID 175555659) is 4-[1-[5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-pyridinyl]-2-methylpropan-2-yl]oxypiperidine-1-carboxylic acid.

What is the SMILES notation for 4-[1-[5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-pyridinyl]-2-methylpropan-2-yl]oxypiperidine-1-carboxylic acid?

The canonical SMILES for 4-[1-[5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-pyridinyl]-2-methylpropan-2-yl]oxypiperidine-1-carboxylic acid is CC(C)(Cc1ccc(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)cn1)OC1CCN(C(=O)O)CC1.

What is the InChIKey of 4-[1-[5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-pyridinyl]-2-methylpropan-2-yl]oxypiperidine-1-carboxylic acid?

The InChIKey is RDSQBIVAGVBJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N3O5/c1-34(2,42-29-17-19-37(20-18-29)33(38)39)21-28-14-13-27(22-35-28)30-15-16-31(40-23-25-9-5-3-6-10-25)36-32(30)41-24-26-11-7-4-8-12-26/h3-16,22,29H,17-21,23-24H2,1-2H3,(H,38,39).

What are the key properties of 4-[1-[5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-pyridinyl]-2-methylpropan-2-yl]oxypiperidine-1-carboxylic acid?

4-[1-[5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-pyridinyl]-2-methylpropan-2-yl]oxypiperidine-1-carboxylic acid has a molecular weight of 567.69 g/mol, XLogP of 6.78, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-pyridinyl]-2-methylpropan-2-yl]oxypiperidine-1-carboxylic acid is sourced from PubChem (CID 175555659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).