2-(5-aminopiperidin-3-yl)-4-[4-[(3-fluorophenyl)methoxy]phenoxy]-2H-pyridine-1-carboxylic acid;hydrochloride

C24H27ClFN3O4 — CID 69378270

IUPAC2-(5-aminopiperidin-3-yl)-4-[4-[(3-fluorophenyl)methoxy]phenoxy]-2H-pyridine-1-carboxylic acid;hydrochloride
SMILESCl.NC1CNCC(C2C=C(Oc3ccc(OCc4cccc(F)c4)cc3)C=CN2C(=O)O)C1
InChIInChI=1S/C24H26FN3O4.ClH/c25-18-3-1-2-16(10-18)15-31-20-4-6-21(7-5-20)32-22-8-9-28(24(29)30)23(12-22)17-11-19(26)14-27-13-17;/h1-10,12,17,19,23,27H,11,13-15,26H2,(H,29,30);1H
InChIKeyQQUWOGKPYFEXRA-UHFFFAOYSA-N
MW475.95 g/mol
LogP3.90
Rot. Bonds6

About 2-(5-aminopiperidin-3-yl)-4-[4-[(3-fluorophenyl)methoxy]phenoxy]-2H-pyridine-1-carboxylic acid;hydrochloride

2-(5-aminopiperidin-3-yl)-4-[4-[(3-fluorophenyl)methoxy]phenoxy]-2H-pyridine-1-carboxylic acid;hydrochloride (PubChem CID 69378270) has the molecular formula C24H27ClFN3O4 and a molecular weight of 475.95 g/mol. Its IUPAC name is 2-(5-aminopiperidin-3-yl)-4-[4-[(3-fluorophenyl)methoxy]phenoxy]-2H-pyridine-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-(5-aminopiperidin-3-yl)-4-[4-[(3-fluorophenyl)methoxy]phenoxy]-2H-pyridine-1-carboxylic acid;hydrochloride
PubChem CID69378270
Molecular FormulaC24H27ClFN3O4
Molecular Weight475.95 g/mol
Exact Mass475.17
IUPAC Name2-(5-aminopiperidin-3-yl)-4-[4-[(3-fluorophenyl)methoxy]phenoxy]-2H-pyridine-1-carboxylic acid;hydrochloride
SMILESCl.NC1CNCC(C2C=C(Oc3ccc(OCc4cccc(F)c4)cc3)C=CN2C(=O)O)C1
InChIInChI=1S/C24H26FN3O4.ClH/c25-18-3-1-2-16(10-18)15-31-20-4-6-21(7-5-20)32-22-8-9-28(24(29)30)23(12-22)17-11-19(26)14-27-13-17;/h1-10,12,17,19,23,27H,11,13-15,26H2,(H,29,30);1H
InChIKeyQQUWOGKPYFEXRA-UHFFFAOYSA-N
XLogP3.90
TPSA97.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.95
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-aminopiperidin-3-yl)-4-[4-[(3-fluorophenyl)methoxy]phenoxy]-2H-pyridine-1-carboxylic acid;hydrochloride?
The IUPAC name of 2-(5-aminopiperidin-3-yl)-4-[4-[(3-fluorophenyl)methoxy]phenoxy]-2H-pyridine-1-carboxylic acid;hydrochloride (CID 69378270) is 2-(5-aminopiperidin-3-yl)-4-[4-[(3-fluorophenyl)methoxy]phenoxy]-2H-pyridine-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-(5-aminopiperidin-3-yl)-4-[4-[(3-fluorophenyl)methoxy]phenoxy]-2H-pyridine-1-carboxylic acid;hydrochloride?
The canonical SMILES for 2-(5-aminopiperidin-3-yl)-4-[4-[(3-fluorophenyl)methoxy]phenoxy]-2H-pyridine-1-carboxylic acid;hydrochloride is Cl.NC1CNCC(C2C=C(Oc3ccc(OCc4cccc(F)c4)cc3)C=CN2C(=O)O)C1.
What is the InChIKey of 2-(5-aminopiperidin-3-yl)-4-[4-[(3-fluorophenyl)methoxy]phenoxy]-2H-pyridine-1-carboxylic acid;hydrochloride?
The InChIKey is QQUWOGKPYFEXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O4.ClH/c25-18-3-1-2-16(10-18)15-31-20-4-6-21(7-5-20)32-22-8-9-28(24(29)30)23(12-22)17-11-19(26)14-27-13-17;/h1-10,12,17,19,23,27H,11,13-15,26H2,(H,29,30);1H.
What are the key properties of 2-(5-aminopiperidin-3-yl)-4-[4-[(3-fluorophenyl)methoxy]phenoxy]-2H-pyridine-1-carboxylic acid;hydrochloride?
2-(5-aminopiperidin-3-yl)-4-[4-[(3-fluorophenyl)methoxy]phenoxy]-2H-pyridine-1-carboxylic acid;hydrochloride has a molecular weight of 475.95 g/mol, XLogP of 3.90, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminopiperidin-3-yl)-4-[4-[(3-fluorophenyl)methoxy]phenoxy]-2H-pyridine-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 69378270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).