2-[4-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]piperidin-1-yl]acetic acid

C24H24FN3O3 — CID 57405384

IUPAC2-[4-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(Nc2cccc(-c3ccc(Oc4ccc(F)cc4)cc3)n2)CC1
InChIInChI=1S/C24H24FN3O3/c25-18-6-10-21(11-7-18)31-20-8-4-17(5-9-20)22-2-1-3-23(27-22)26-19-12-14-28(15-13-19)16-24(29)30/h1-11,19H,12-16H2,(H,26,27)(H,29,30)
InChIKeyNWYLISLHCSFFPD-UHFFFAOYSA-N
MW421.47 g/mol
LogP4.64
Rot. Bonds7

About 2-[4-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]piperidin-1-yl]acetic acid

2-[4-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]piperidin-1-yl]acetic acid (PubChem CID 57405384) has the molecular formula C24H24FN3O3 and a molecular weight of 421.47 g/mol. Its IUPAC name is 2-[4-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]piperidin-1-yl]acetic acid
PubChem CID57405384
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC Name2-[4-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(Nc2cccc(-c3ccc(Oc4ccc(F)cc4)cc3)n2)CC1
InChIInChI=1S/C24H24FN3O3/c25-18-6-10-21(11-7-18)31-20-8-4-17(5-9-20)22-2-1-3-23(27-22)26-19-12-14-28(15-13-19)16-24(29)30/h1-11,19H,12-16H2,(H,26,27)(H,29,30)
InChIKeyNWYLISLHCSFFPD-UHFFFAOYSA-N
XLogP4.64
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]piperidin-1-yl]acetic acid (CID 57405384) is 2-[4-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]piperidin-1-yl]acetic acid is O=C(O)CN1CCC(Nc2cccc(-c3ccc(Oc4ccc(F)cc4)cc3)n2)CC1.
What is the InChIKey of 2-[4-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]piperidin-1-yl]acetic acid?
The InChIKey is NWYLISLHCSFFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3/c25-18-6-10-21(11-7-18)31-20-8-4-17(5-9-20)22-2-1-3-23(27-22)26-19-12-14-28(15-13-19)16-24(29)30/h1-11,19H,12-16H2,(H,26,27)(H,29,30).
What are the key properties of 2-[4-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]piperidin-1-yl]acetic acid?
2-[4-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]piperidin-1-yl]acetic acid has a molecular weight of 421.47 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]piperidin-1-yl]acetic acid is sourced from PubChem (CID 57405384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).