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

C15H18FNO4 — CID 103628823

IUPAC2-[1-(2-fluoro-4-methoxybenzoyl)piperidin-2-yl]acetic acid
SMILESCOc1ccc(C(=O)N2CCCCC2CC(=O)O)c(F)c1
InChIInChI=1S/C15H18FNO4/c1-21-11-5-6-12(13(16)9-11)15(20)17-7-3-2-4-10(17)8-14(18)19/h5-6,9-10H,2-4,7-8H2,1H3,(H,18,19)
InChIKeyDCBFUALEKIFFIE-UHFFFAOYSA-N
MW295.31 g/mol
LogP2.30
Rot. Bonds4

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

2-[1-(2-fluoro-4-methoxybenzoyl)piperidin-2-yl]acetic acid (PubChem CID 103628823) 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-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-fluoro-4-methoxybenzoyl)piperidin-2-yl]acetic acid
PubChem CID103628823
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name2-[1-(2-fluoro-4-methoxybenzoyl)piperidin-2-yl]acetic acid
SMILESCOc1ccc(C(=O)N2CCCCC2CC(=O)O)c(F)c1
InChIInChI=1S/C15H18FNO4/c1-21-11-5-6-12(13(16)9-11)15(20)17-7-3-2-4-10(17)8-14(18)19/h5-6,9-10H,2-4,7-8H2,1H3,(H,18,19)
InChIKeyDCBFUALEKIFFIE-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-bromo-2-fluorobenzoyl)pyrrolidin-2-yl]acetic acid
CID 61371449
(2-fluoro-4-methoxyphenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 103709651
2-[1-(2-fluoro-4-methoxybenzoyl)piperidin-4-yl]acetic acid
CID 103628835
[4-(2,4-dimethoxyphenyl)-2-fluorophenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11661550
[2-(bromomethyl)piperidin-1-yl]-(2-hydroxy-4-methoxyphenyl)methanone
CID 80659061
1-[1-(4-bromo-2-fluorobenzoyl)piperidin-2-yl]propan-2-one
CID 79549165
[2-(bromomethyl)piperidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 80659839
2-[1-(2-hydroxy-4-methylbenzoyl)piperidin-2-yl]acetic acid
CID 61011217
2-[1-(4-chloro-2-hydroxybenzoyl)piperidin-2-yl]acetic acid
CID 61010246
1-[1-(4-bromo-2-fluorobenzoyl)azepan-2-yl]propan-2-one
CID 79541551
1-(2-fluoro-4-methoxybenzoyl)pyrrolidine-2-carbothioamide
CID 102883167
[2-(aminomethyl)piperidin-1-yl]-(2,4-dimethoxyphenyl)methanone;hydrochloride
CID 119467572

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluoro-4-methoxybenzoyl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(2-fluoro-4-methoxybenzoyl)piperidin-2-yl]acetic acid (CID 103628823) is 2-[1-(2-fluoro-4-methoxybenzoyl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-fluoro-4-methoxybenzoyl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(2-fluoro-4-methoxybenzoyl)piperidin-2-yl]acetic acid is COc1ccc(C(=O)N2CCCCC2CC(=O)O)c(F)c1.
What is the InChIKey of 2-[1-(2-fluoro-4-methoxybenzoyl)piperidin-2-yl]acetic acid?
The InChIKey is DCBFUALEKIFFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO4/c1-21-11-5-6-12(13(16)9-11)15(20)17-7-3-2-4-10(17)8-14(18)19/h5-6,9-10H,2-4,7-8H2,1H3,(H,18,19).
What are the key properties of 2-[1-(2-fluoro-4-methoxybenzoyl)piperidin-2-yl]acetic acid?
2-[1-(2-fluoro-4-methoxybenzoyl)piperidin-2-yl]acetic acid has a molecular weight of 295.31 g/mol, XLogP of 2.30, 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-2-yl]acetic acid is sourced from PubChem (CID 103628823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).