1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]piperidine-3-carboxylic acid

C15H19FN2O3 — CID 82163424

IUPAC1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]piperidine-3-carboxylic acid
SMILESO=C(Cc1ccc(F)cc1)NCN1CCCC(C(=O)O)C1
InChIInChI=1S/C15H19FN2O3/c16-13-5-3-11(4-6-13)8-14(19)17-10-18-7-1-2-12(9-18)15(20)21/h3-6,12H,1-2,7-10H2,(H,17,19)(H,20,21)
InChIKeyQJJVCXHMLLFGFA-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.24
Rot. Bonds5

About 1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]piperidine-3-carboxylic acid

1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]piperidine-3-carboxylic acid (PubChem CID 82163424) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]piperidine-3-carboxylic acid
PubChem CID82163424
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]piperidine-3-carboxylic acid
SMILESO=C(Cc1ccc(F)cc1)NCN1CCCC(C(=O)O)C1
InChIInChI=1S/C15H19FN2O3/c16-13-5-3-11(4-6-13)8-14(19)17-10-18-7-1-2-12(9-18)15(20)21/h3-6,12H,1-2,7-10H2,(H,17,19)(H,20,21)
InChIKeyQJJVCXHMLLFGFA-UHFFFAOYSA-N
XLogP1.24
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]piperidine-4-carboxylic acid
CID 82163378
(3S)-1-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]piperidine-3-carboxylic acid
CID 125147582
1-[[[2-(2-chlorophenoxy)acetyl]amino]methyl]piperidine-3-carboxylic acid
CID 82163433
1-[(3-methylbutanoylamino)methyl]piperidine-3-carboxylic acid
CID 82163406
1-[(4-fluoro-2-hydroxyphenyl)methyl]piperidine-3-carboxylic acid
CID 178133859
1-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylic acid
CID 4555188
(3S)-1-[(2,5-difluorophenyl)methyl]piperidine-3-carboxylic acid
CID 24904996
2-(4-fluorophenyl)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide
CID 94115488
N-(cyclopropylmethyl)-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxamide
CID 60512490
1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
CID 18125275
ethyl (3R)-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylate
CID 8533086
trans-(1S,2R)-2-[[[2-(4-fluorophenyl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 108755751

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]piperidine-3-carboxylic acid (CID 82163424) is 1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]piperidine-3-carboxylic acid is O=C(Cc1ccc(F)cc1)NCN1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]piperidine-3-carboxylic acid?
The InChIKey is QJJVCXHMLLFGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c16-13-5-3-11(4-6-13)8-14(19)17-10-18-7-1-2-12(9-18)15(20)21/h3-6,12H,1-2,7-10H2,(H,17,19)(H,20,21).
What are the key properties of 1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]piperidine-3-carboxylic acid?
1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]piperidine-3-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 82163424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).