(2R)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperidine-2-carboxylic acid

C15H18FNO4 — CID 79035338

IUPAC(2R)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperidine-2-carboxylic acid
SMILESCOc1ccc(CC(=O)N2CCCC[C@@H]2C(=O)O)cc1F
InChIInChI=1S/C15H18FNO4/c1-21-13-6-5-10(8-11(13)16)9-14(18)17-7-3-2-4-12(17)15(19)20/h5-6,8,12H,2-4,7,9H2,1H3,(H,19,20)/t12-/m1/s1
InChIKeyQKCZNLGYHVZPHA-GFCCVEGCSA-N
MW295.31 g/mol
LogP1.84
Rot. Bonds4

About (2R)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperidine-2-carboxylic acid

(2R)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperidine-2-carboxylic acid (PubChem CID 79035338) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is (2R)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperidine-2-carboxylic acid
PubChem CID79035338
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name(2R)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperidine-2-carboxylic acid
SMILESCOc1ccc(CC(=O)N2CCCC[C@@H]2C(=O)O)cc1F
InChIInChI=1S/C15H18FNO4/c1-21-13-6-5-10(8-11(13)16)9-14(18)17-7-3-2-4-12(17)15(19)20/h5-6,8,12H,2-4,7,9H2,1H3,(H,19,20)/t12-/m1/s1
InChIKeyQKCZNLGYHVZPHA-GFCCVEGCSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 61137100
1-[2-(3-fluoro-4-methoxyphenyl)acetyl]-N-phenylpyrrolidine-2-carboxamide
CID 47022865
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 119434544
(2R)-1-(3-fluoro-4-methoxybenzoyl)piperidine-2-carboxylic acid
CID 79034351
2-(3-fluoro-4-methoxyphenyl)-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 98761453
1-[2-(3-methoxyphenyl)acetyl]azepane-2-carboxylic acid
CID 64559530
1-(azepan-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 60667511
1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3998097
(2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid
CID 79034352
1-[2-(5-acetyl-2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid
CID 119176135
1-[2-(2,5-difluorophenyl)acetyl]piperidine-2-carboxylic acid
CID 119176055
(2S)-1-[2-(2-methoxy-5-methylphenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 61137099

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperidine-2-carboxylic acid (CID 79035338) is (2R)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperidine-2-carboxylic acid is COc1ccc(CC(=O)N2CCCC[C@@H]2C(=O)O)cc1F.
What is the InChIKey of (2R)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperidine-2-carboxylic acid?
The InChIKey is QKCZNLGYHVZPHA-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18FNO4/c1-21-13-6-5-10(8-11(13)16)9-14(18)17-7-3-2-4-12(17)15(19)20/h5-6,8,12H,2-4,7,9H2,1H3,(H,19,20)/t12-/m1/s1.
What are the key properties of (2R)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperidine-2-carboxylic acid?
(2R)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperidine-2-carboxylic acid has a molecular weight of 295.31 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 79035338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).