2-[1-[4-(2-cyclopentyloxy-3-pyridinyl)-2-fluorophenyl]piperidin-4-yl]acetic acid

C23H27FN2O3 — CID 121447027

IUPAC2-[1-[4-(2-cyclopentyloxy-3-pyridinyl)-2-fluorophenyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(c2ccc(-c3cccnc3OC3CCCC3)cc2F)CC1
InChIInChI=1S/C23H27FN2O3/c24-20-15-17(19-6-3-11-25-23(19)29-18-4-1-2-5-18)7-8-21(20)26-12-9-16(10-13-26)14-22(27)28/h3,6-8,11,15-16,18H,1-2,4-5,9-10,12-14H2,(H,27,28)
InChIKeyGGZORIWZYUMOJS-UHFFFAOYSA-N
MW398.48 g/mol
LogP4.90
Rot. Bonds6

About 2-[1-[4-(2-cyclopentyloxy-3-pyridinyl)-2-fluorophenyl]piperidin-4-yl]acetic acid

2-[1-[4-(2-cyclopentyloxy-3-pyridinyl)-2-fluorophenyl]piperidin-4-yl]acetic acid (PubChem CID 121447027) has the molecular formula C23H27FN2O3 and a molecular weight of 398.48 g/mol. Its IUPAC name is 2-[1-[4-(2-cyclopentyloxy-3-pyridinyl)-2-fluorophenyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[4-(2-cyclopentyloxy-3-pyridinyl)-2-fluorophenyl]piperidin-4-yl]acetic acid
PubChem CID121447027
Molecular FormulaC23H27FN2O3
Molecular Weight398.48 g/mol
Exact Mass398.20
IUPAC Name2-[1-[4-(2-cyclopentyloxy-3-pyridinyl)-2-fluorophenyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(c2ccc(-c3cccnc3OC3CCCC3)cc2F)CC1
InChIInChI=1S/C23H27FN2O3/c24-20-15-17(19-6-3-11-25-23(19)29-18-4-1-2-5-18)7-8-21(20)26-12-9-16(10-13-26)14-22(27)28/h3,6-8,11,15-16,18H,1-2,4-5,9-10,12-14H2,(H,27,28)
InChIKeyGGZORIWZYUMOJS-UHFFFAOYSA-N
XLogP4.90
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(2-cyclopentyloxy-3-pyridinyl)-2-fluorophenyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[4-(2-cyclopentyloxy-3-pyridinyl)-2-fluorophenyl]piperidin-4-yl]acetic acid (CID 121447027) is 2-[1-[4-(2-cyclopentyloxy-3-pyridinyl)-2-fluorophenyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[4-(2-cyclopentyloxy-3-pyridinyl)-2-fluorophenyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[4-(2-cyclopentyloxy-3-pyridinyl)-2-fluorophenyl]piperidin-4-yl]acetic acid is O=C(O)CC1CCN(c2ccc(-c3cccnc3OC3CCCC3)cc2F)CC1.
What is the InChIKey of 2-[1-[4-(2-cyclopentyloxy-3-pyridinyl)-2-fluorophenyl]piperidin-4-yl]acetic acid?
The InChIKey is GGZORIWZYUMOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O3/c24-20-15-17(19-6-3-11-25-23(19)29-18-4-1-2-5-18)7-8-21(20)26-12-9-16(10-13-26)14-22(27)28/h3,6-8,11,15-16,18H,1-2,4-5,9-10,12-14H2,(H,27,28).
What are the key properties of 2-[1-[4-(2-cyclopentyloxy-3-pyridinyl)-2-fluorophenyl]piperidin-4-yl]acetic acid?
2-[1-[4-(2-cyclopentyloxy-3-pyridinyl)-2-fluorophenyl]piperidin-4-yl]acetic acid has a molecular weight of 398.48 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(2-cyclopentyloxy-3-pyridinyl)-2-fluorophenyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 121447027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).