6-[(4-benzhydryloxypiperidin-1-yl)methyl]-3-methoxypyridine-2-carboxylic acid

C26H28N2O4 — CID 89474416

IUPAC6-[(4-benzhydryloxypiperidin-1-yl)methyl]-3-methoxypyridine-2-carboxylic acid
SMILESCOc1ccc(CN2CCC(OC(c3ccccc3)c3ccccc3)CC2)nc1C(=O)O
InChIInChI=1S/C26H28N2O4/c1-31-23-13-12-21(27-24(23)26(29)30)18-28-16-14-22(15-17-28)32-25(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,22,25H,14-18H2,1H3,(H,29,30)
InChIKeyMAHDDJFPIVNDBN-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.56
Rot. Bonds8

About 6-[(4-benzhydryloxypiperidin-1-yl)methyl]-3-methoxypyridine-2-carboxylic acid

6-[(4-benzhydryloxypiperidin-1-yl)methyl]-3-methoxypyridine-2-carboxylic acid (PubChem CID 89474416) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is 6-[(4-benzhydryloxypiperidin-1-yl)methyl]-3-methoxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(4-benzhydryloxypiperidin-1-yl)methyl]-3-methoxypyridine-2-carboxylic acid
PubChem CID89474416
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC Name6-[(4-benzhydryloxypiperidin-1-yl)methyl]-3-methoxypyridine-2-carboxylic acid
SMILESCOc1ccc(CN2CCC(OC(c3ccccc3)c3ccccc3)CC2)nc1C(=O)O
InChIInChI=1S/C26H28N2O4/c1-31-23-13-12-21(27-24(23)26(29)30)18-28-16-14-22(15-17-28)32-25(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,22,25H,14-18H2,1H3,(H,29,30)
InChIKeyMAHDDJFPIVNDBN-UHFFFAOYSA-N
XLogP4.56
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-benzhydryloxypiperidin-1-yl)methyl]-3-methoxypyridine-2-carboxylic acid?
The IUPAC name of 6-[(4-benzhydryloxypiperidin-1-yl)methyl]-3-methoxypyridine-2-carboxylic acid (CID 89474416) is 6-[(4-benzhydryloxypiperidin-1-yl)methyl]-3-methoxypyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(4-benzhydryloxypiperidin-1-yl)methyl]-3-methoxypyridine-2-carboxylic acid?
The canonical SMILES for 6-[(4-benzhydryloxypiperidin-1-yl)methyl]-3-methoxypyridine-2-carboxylic acid is COc1ccc(CN2CCC(OC(c3ccccc3)c3ccccc3)CC2)nc1C(=O)O.
What is the InChIKey of 6-[(4-benzhydryloxypiperidin-1-yl)methyl]-3-methoxypyridine-2-carboxylic acid?
The InChIKey is MAHDDJFPIVNDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-31-23-13-12-21(27-24(23)26(29)30)18-28-16-14-22(15-17-28)32-25(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,22,25H,14-18H2,1H3,(H,29,30).
What are the key properties of 6-[(4-benzhydryloxypiperidin-1-yl)methyl]-3-methoxypyridine-2-carboxylic acid?
6-[(4-benzhydryloxypiperidin-1-yl)methyl]-3-methoxypyridine-2-carboxylic acid has a molecular weight of 432.52 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-benzhydryloxypiperidin-1-yl)methyl]-3-methoxypyridine-2-carboxylic acid is sourced from PubChem (CID 89474416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).