2-[4-(2-fluoro-6-methoxybenzoyl)piperazin-1-yl]acetic acid

C14H17FN2O4 — CID 65434176

IUPAC2-[4-(2-fluoro-6-methoxybenzoyl)piperazin-1-yl]acetic acid
SMILESCOc1cccc(F)c1C(=O)N1CCN(CC(=O)O)CC1
InChIInChI=1S/C14H17FN2O4/c1-21-11-4-2-3-10(15)13(11)14(20)17-7-5-16(6-8-17)9-12(18)19/h2-4H,5-9H2,1H3,(H,18,19)
InChIKeyXAFAODSUAQWYPM-UHFFFAOYSA-N
MW296.30 g/mol
LogP0.68
Rot. Bonds4

About 2-[4-(2-fluoro-6-methoxybenzoyl)piperazin-1-yl]acetic acid

2-[4-(2-fluoro-6-methoxybenzoyl)piperazin-1-yl]acetic acid (PubChem CID 65434176) has the molecular formula C14H17FN2O4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 2-[4-(2-fluoro-6-methoxybenzoyl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-fluoro-6-methoxybenzoyl)piperazin-1-yl]acetic acid
PubChem CID65434176
Molecular FormulaC14H17FN2O4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name2-[4-(2-fluoro-6-methoxybenzoyl)piperazin-1-yl]acetic acid
SMILESCOc1cccc(F)c1C(=O)N1CCN(CC(=O)O)CC1
InChIInChI=1S/C14H17FN2O4/c1-21-11-4-2-3-10(15)13(11)14(20)17-7-5-16(6-8-17)9-12(18)19/h2-4H,5-9H2,1H3,(H,18,19)
InChIKeyXAFAODSUAQWYPM-UHFFFAOYSA-N
XLogP0.68
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-fluoro-6-methoxyphenyl)-morpholin-4-ylmethanone
CID 65432492
(2,6-dimethoxyphenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 1112852
1-(2-fluoro-6-methoxybenzoyl)piperidine-4-carboxylic acid
CID 65432243
(4-bromopiperidin-1-yl)-(2-fluoro-6-methoxyphenyl)methanone
CID 80662755
[4-(2-aminoethyl)piperidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone
CID 65435015
[4-(2-chloro-6-fluorobenzoyl)-1,4-diazepan-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 108544564
(2,6-dimethoxyphenyl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110399351
2-[4-(2-chloro-3-fluorobenzoyl)piperazin-1-yl]acetic acid
CID 81454330
2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-1-(4-methylphenyl)ethanone
CID 110366345
2-[4-(2-fluoro-6-methoxybenzoyl)morpholin-2-yl]acetic acid
CID 66435743
[4-(1-aminoethyl)piperidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone
CID 65433856
N-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 29200423

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluoro-6-methoxybenzoyl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(2-fluoro-6-methoxybenzoyl)piperazin-1-yl]acetic acid (CID 65434176) is 2-[4-(2-fluoro-6-methoxybenzoyl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-fluoro-6-methoxybenzoyl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2-fluoro-6-methoxybenzoyl)piperazin-1-yl]acetic acid is COc1cccc(F)c1C(=O)N1CCN(CC(=O)O)CC1.
What is the InChIKey of 2-[4-(2-fluoro-6-methoxybenzoyl)piperazin-1-yl]acetic acid?
The InChIKey is XAFAODSUAQWYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O4/c1-21-11-4-2-3-10(15)13(11)14(20)17-7-5-16(6-8-17)9-12(18)19/h2-4H,5-9H2,1H3,(H,18,19).
What are the key properties of 2-[4-(2-fluoro-6-methoxybenzoyl)piperazin-1-yl]acetic acid?
2-[4-(2-fluoro-6-methoxybenzoyl)piperazin-1-yl]acetic acid has a molecular weight of 296.30 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluoro-6-methoxybenzoyl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 65434176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).