(2R)-2-(3-fluoro-4-methoxyphenyl)-2-(4-pyridin-3-yloxypiperidin-1-yl)acetic acid

C19H21FN2O4 — CID 97278780

IUPAC(2R)-2-(3-fluoro-4-methoxyphenyl)-2-(4-pyridin-3-yloxypiperidin-1-yl)acetic acid
SMILESCOc1ccc([C@H](C(=O)O)N2CCC(Oc3cccnc3)CC2)cc1F
InChIInChI=1S/C19H21FN2O4/c1-25-17-5-4-13(11-16(17)20)18(19(23)24)22-9-6-14(7-10-22)26-15-3-2-8-21-12-15/h2-5,8,11-12,14,18H,6-7,9-10H2,1H3,(H,23,24)/t18-/m1/s1
InChIKeyNHJZQMSQQNDHDS-GOSISDBHSA-N
MW360.39 g/mol
LogP2.90
Rot. Bonds6

About (2R)-2-(3-fluoro-4-methoxyphenyl)-2-(4-pyridin-3-yloxypiperidin-1-yl)acetic acid

(2R)-2-(3-fluoro-4-methoxyphenyl)-2-(4-pyridin-3-yloxypiperidin-1-yl)acetic acid (PubChem CID 97278780) has the molecular formula C19H21FN2O4 and a molecular weight of 360.39 g/mol. Its IUPAC name is (2R)-2-(3-fluoro-4-methoxyphenyl)-2-(4-pyridin-3-yloxypiperidin-1-yl)acetic acid.

Molecular Properties

Compound Name(2R)-2-(3-fluoro-4-methoxyphenyl)-2-(4-pyridin-3-yloxypiperidin-1-yl)acetic acid
PubChem CID97278780
Molecular FormulaC19H21FN2O4
Molecular Weight360.39 g/mol
Exact Mass360.15
IUPAC Name(2R)-2-(3-fluoro-4-methoxyphenyl)-2-(4-pyridin-3-yloxypiperidin-1-yl)acetic acid
SMILESCOc1ccc([C@H](C(=O)O)N2CCC(Oc3cccnc3)CC2)cc1F
InChIInChI=1S/C19H21FN2O4/c1-25-17-5-4-13(11-16(17)20)18(19(23)24)22-9-6-14(7-10-22)26-15-3-2-8-21-12-15/h2-5,8,11-12,14,18H,6-7,9-10H2,1H3,(H,23,24)/t18-/m1/s1
InChIKeyNHJZQMSQQNDHDS-GOSISDBHSA-N
XLogP2.90
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-fluoro-4-methoxyphenyl)-2-(4-pyridin-3-yloxypiperidin-1-yl)acetic acid?
The IUPAC name of (2R)-2-(3-fluoro-4-methoxyphenyl)-2-(4-pyridin-3-yloxypiperidin-1-yl)acetic acid (CID 97278780) is (2R)-2-(3-fluoro-4-methoxyphenyl)-2-(4-pyridin-3-yloxypiperidin-1-yl)acetic acid.
What is the SMILES notation for (2R)-2-(3-fluoro-4-methoxyphenyl)-2-(4-pyridin-3-yloxypiperidin-1-yl)acetic acid?
The canonical SMILES for (2R)-2-(3-fluoro-4-methoxyphenyl)-2-(4-pyridin-3-yloxypiperidin-1-yl)acetic acid is COc1ccc([C@H](C(=O)O)N2CCC(Oc3cccnc3)CC2)cc1F.
What is the InChIKey of (2R)-2-(3-fluoro-4-methoxyphenyl)-2-(4-pyridin-3-yloxypiperidin-1-yl)acetic acid?
The InChIKey is NHJZQMSQQNDHDS-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21FN2O4/c1-25-17-5-4-13(11-16(17)20)18(19(23)24)22-9-6-14(7-10-22)26-15-3-2-8-21-12-15/h2-5,8,11-12,14,18H,6-7,9-10H2,1H3,(H,23,24)/t18-/m1/s1.
What are the key properties of (2R)-2-(3-fluoro-4-methoxyphenyl)-2-(4-pyridin-3-yloxypiperidin-1-yl)acetic acid?
(2R)-2-(3-fluoro-4-methoxyphenyl)-2-(4-pyridin-3-yloxypiperidin-1-yl)acetic acid has a molecular weight of 360.39 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-fluoro-4-methoxyphenyl)-2-(4-pyridin-3-yloxypiperidin-1-yl)acetic acid is sourced from PubChem (CID 97278780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).