2-(5-fluoro-2-methoxyphenyl)-2-(4-pyrimidin-2-yloxypiperidin-1-yl)acetic acid

C18H20FN3O4 — CID 46993219

IUPAC2-(5-fluoro-2-methoxyphenyl)-2-(4-pyrimidin-2-yloxypiperidin-1-yl)acetic acid
SMILESCOc1ccc(F)cc1C(C(=O)O)N1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C18H20FN3O4/c1-25-15-4-3-12(19)11-14(15)16(17(23)24)22-9-5-13(6-10-22)26-18-20-7-2-8-21-18/h2-4,7-8,11,13,16H,5-6,9-10H2,1H3,(H,23,24)
InChIKeyYGVKKRZXHBTYCS-UHFFFAOYSA-N
MW361.37 g/mol
LogP2.29
Rot. Bonds6

About 2-(5-fluoro-2-methoxyphenyl)-2-(4-pyrimidin-2-yloxypiperidin-1-yl)acetic acid

2-(5-fluoro-2-methoxyphenyl)-2-(4-pyrimidin-2-yloxypiperidin-1-yl)acetic acid (PubChem CID 46993219) has the molecular formula C18H20FN3O4 and a molecular weight of 361.37 g/mol. Its IUPAC name is 2-(5-fluoro-2-methoxyphenyl)-2-(4-pyrimidin-2-yloxypiperidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5-fluoro-2-methoxyphenyl)-2-(4-pyrimidin-2-yloxypiperidin-1-yl)acetic acid
PubChem CID46993219
Molecular FormulaC18H20FN3O4
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC Name2-(5-fluoro-2-methoxyphenyl)-2-(4-pyrimidin-2-yloxypiperidin-1-yl)acetic acid
SMILESCOc1ccc(F)cc1C(C(=O)O)N1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C18H20FN3O4/c1-25-15-4-3-12(19)11-14(15)16(17(23)24)22-9-5-13(6-10-22)26-18-20-7-2-8-21-18/h2-4,7-8,11,13,16H,5-6,9-10H2,1H3,(H,23,24)
InChIKeyYGVKKRZXHBTYCS-UHFFFAOYSA-N
XLogP2.29
TPSA84.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(5-fluoro-2-methoxyphenyl)-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetic acid
CID 97200141
2-(4-fluoro-2-methoxyphenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetic acid
CID 72934013
(2S)-2-(5-fluoro-2-methoxyphenyl)-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetic acid
CID 95046791
(2R)-2-(3-fluoro-4-methoxyphenyl)-2-(4-pyridin-3-yloxypiperidin-1-yl)acetic acid
CID 97278780
2-(5-fluoro-2-methoxyphenyl)-2-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]acetic acid
CID 72932556
2-(4-fluoro-2-methoxyphenyl)-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]acetic acid
CID 72940551
2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]propanoic acid
CID 119134759
2-(5-fluoro-2-methoxyphenyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]acetic acid
CID 47000299
1-(5-fluoro-2-methoxyphenyl)-2-(4-pyridin-3-yloxypiperidin-1-yl)ethanol
CID 46968092
2-(2,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)acetic acid
CID 84747093
2-(5-fluoro-2-methoxyphenyl)propanoic acid
CID 79002336
(2S)-2-(2,3-dimethoxyphenyl)-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetic acid
CID 97187301

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-2-(4-pyrimidin-2-yloxypiperidin-1-yl)acetic acid?
The IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-2-(4-pyrimidin-2-yloxypiperidin-1-yl)acetic acid (CID 46993219) is 2-(5-fluoro-2-methoxyphenyl)-2-(4-pyrimidin-2-yloxypiperidin-1-yl)acetic acid.
What is the SMILES notation for 2-(5-fluoro-2-methoxyphenyl)-2-(4-pyrimidin-2-yloxypiperidin-1-yl)acetic acid?
The canonical SMILES for 2-(5-fluoro-2-methoxyphenyl)-2-(4-pyrimidin-2-yloxypiperidin-1-yl)acetic acid is COc1ccc(F)cc1C(C(=O)O)N1CCC(Oc2ncccn2)CC1.
What is the InChIKey of 2-(5-fluoro-2-methoxyphenyl)-2-(4-pyrimidin-2-yloxypiperidin-1-yl)acetic acid?
The InChIKey is YGVKKRZXHBTYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O4/c1-25-15-4-3-12(19)11-14(15)16(17(23)24)22-9-5-13(6-10-22)26-18-20-7-2-8-21-18/h2-4,7-8,11,13,16H,5-6,9-10H2,1H3,(H,23,24).
What are the key properties of 2-(5-fluoro-2-methoxyphenyl)-2-(4-pyrimidin-2-yloxypiperidin-1-yl)acetic acid?
2-(5-fluoro-2-methoxyphenyl)-2-(4-pyrimidin-2-yloxypiperidin-1-yl)acetic acid has a molecular weight of 361.37 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methoxyphenyl)-2-(4-pyrimidin-2-yloxypiperidin-1-yl)acetic acid is sourced from PubChem (CID 46993219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).