2-[1-(2-fluoro-4-methoxybenzoyl)piperidin-4-yl]acetic acid

C15H18FNO4 — CID 103628835

IUPAC2-[1-(2-fluoro-4-methoxybenzoyl)piperidin-4-yl]acetic acid
SMILESCOc1ccc(C(=O)N2CCC(CC(=O)O)CC2)c(F)c1
InChIInChI=1S/C15H18FNO4/c1-21-11-2-3-12(13(16)9-11)15(20)17-6-4-10(5-7-17)8-14(18)19/h2-3,9-10H,4-8H2,1H3,(H,18,19)
InChIKeyAQKOPAOGYXPXHG-UHFFFAOYSA-N
MW295.31 g/mol
LogP2.16
Rot. Bonds4

About 2-[1-(2-fluoro-4-methoxybenzoyl)piperidin-4-yl]acetic acid

2-[1-(2-fluoro-4-methoxybenzoyl)piperidin-4-yl]acetic acid (PubChem CID 103628835) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-[1-(2-fluoro-4-methoxybenzoyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-fluoro-4-methoxybenzoyl)piperidin-4-yl]acetic acid
PubChem CID103628835
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name2-[1-(2-fluoro-4-methoxybenzoyl)piperidin-4-yl]acetic acid
SMILESCOc1ccc(C(=O)N2CCC(CC(=O)O)CC2)c(F)c1
InChIInChI=1S/C15H18FNO4/c1-21-11-2-3-12(13(16)9-11)15(20)17-6-4-10(5-7-17)8-14(18)19/h2-3,9-10H,4-8H2,1H3,(H,18,19)
InChIKeyAQKOPAOGYXPXHG-UHFFFAOYSA-N
XLogP2.16
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-bromo-4-methoxybenzoyl)piperidin-4-yl]acetic acid
CID 154836645
[3-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 113265524
2-[1-(5-methoxy-2-nitrobenzoyl)piperidin-4-yl]acetic acid
CID 119178398
azocan-1-yl-(2-fluoro-4-methoxyphenyl)methanone
CID 113218844
1-(2-fluoro-4-methoxybenzoyl)piperidine-4-carbothioamide
CID 102883173
2-[1-(2-fluoro-4-methoxybenzoyl)piperidin-2-yl]acetic acid
CID 103628823
3-[4-(2-fluoro-4-methoxybenzoyl)piperazin-1-yl]butanoic acid
CID 154746368
2-[1-(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)piperidin-4-yl]acetic acid
CID 120515547
(4-aminopiperidin-1-yl)-[2-fluoro-4-(4-methoxyphenyl)phenyl]methanone
CID 119375419
(4-amino-3-methylpiperidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 103807097
(2-fluoro-4-methoxyphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102677558
2-[1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]acetic acid
CID 107013711

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluoro-4-methoxybenzoyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(2-fluoro-4-methoxybenzoyl)piperidin-4-yl]acetic acid (CID 103628835) is 2-[1-(2-fluoro-4-methoxybenzoyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-fluoro-4-methoxybenzoyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(2-fluoro-4-methoxybenzoyl)piperidin-4-yl]acetic acid is COc1ccc(C(=O)N2CCC(CC(=O)O)CC2)c(F)c1.
What is the InChIKey of 2-[1-(2-fluoro-4-methoxybenzoyl)piperidin-4-yl]acetic acid?
The InChIKey is AQKOPAOGYXPXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO4/c1-21-11-2-3-12(13(16)9-11)15(20)17-6-4-10(5-7-17)8-14(18)19/h2-3,9-10H,4-8H2,1H3,(H,18,19).
What are the key properties of 2-[1-(2-fluoro-4-methoxybenzoyl)piperidin-4-yl]acetic acid?
2-[1-(2-fluoro-4-methoxybenzoyl)piperidin-4-yl]acetic acid has a molecular weight of 295.31 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluoro-4-methoxybenzoyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 103628835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).