(2R)-2-[4-[(3-fluoro-4-methylphenyl)methylcarbamoyl]piperidin-1-yl]propanoic acid

C17H23FN2O3 — CID 124689641

IUPAC(2R)-2-[4-[(3-fluoro-4-methylphenyl)methylcarbamoyl]piperidin-1-yl]propanoic acid
SMILESCc1ccc(CNC(=O)C2CCN([C@H](C)C(=O)O)CC2)cc1F
InChIInChI=1S/C17H23FN2O3/c1-11-3-4-13(9-15(11)18)10-19-16(21)14-5-7-20(8-6-14)12(2)17(22)23/h3-4,9,12,14H,5-8,10H2,1-2H3,(H,19,21)(H,22,23)/t12-/m1/s1
InChIKeyGOUHIKWOSYEMGY-GFCCVEGCSA-N
MW322.38 g/mol
LogP1.94
Rot. Bonds5

About (2R)-2-[4-[(3-fluoro-4-methylphenyl)methylcarbamoyl]piperidin-1-yl]propanoic acid

(2R)-2-[4-[(3-fluoro-4-methylphenyl)methylcarbamoyl]piperidin-1-yl]propanoic acid (PubChem CID 124689641) has the molecular formula C17H23FN2O3 and a molecular weight of 322.38 g/mol. Its IUPAC name is (2R)-2-[4-[(3-fluoro-4-methylphenyl)methylcarbamoyl]piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[4-[(3-fluoro-4-methylphenyl)methylcarbamoyl]piperidin-1-yl]propanoic acid
PubChem CID124689641
Molecular FormulaC17H23FN2O3
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Name(2R)-2-[4-[(3-fluoro-4-methylphenyl)methylcarbamoyl]piperidin-1-yl]propanoic acid
SMILESCc1ccc(CNC(=O)C2CCN([C@H](C)C(=O)O)CC2)cc1F
InChIInChI=1S/C17H23FN2O3/c1-11-3-4-13(9-15(11)18)10-19-16(21)14-5-7-20(8-6-14)12(2)17(22)23/h3-4,9,12,14H,5-8,10H2,1-2H3,(H,19,21)(H,22,23)/t12-/m1/s1
InChIKeyGOUHIKWOSYEMGY-GFCCVEGCSA-N
XLogP1.94
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-aminopropanoyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide
CID 119287979
1-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide
CID 55843226
N-[(3-fluoro-4-methylphenyl)methyl]-1-[2-(methylamino)acetyl]piperidine-4-carboxamide
CID 119720842
N-benzyl-1-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 41415384
N-[(3-fluoro-4-methylphenyl)methyl]-1-(5-hydroxypentyl)piperidine-4-carboxamide
CID 110923817
cis-(1S,3R)-3-[4-[(3-fluoro-4-methylphenyl)methylcarbamoyl]piperidine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065329
1-(3-amino-3-phenylpropanoyl)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide
CID 119949794
N-[(3-fluoro-4-methylphenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 17469505
1-(2-aminopentanoyl)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119287980
1-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 42542998
N-[(3-fluoro-4-methylphenyl)methyl]-1-(piperidine-2-carbonyl)piperidine-4-carboxamide
CID 119287959
N-[(3-fluoro-4-methylphenyl)methyl]-1-[2-(4-sulfamoylphenyl)acetyl]piperidine-4-carboxamide
CID 56553008

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[(3-fluoro-4-methylphenyl)methylcarbamoyl]piperidin-1-yl]propanoic acid?
The IUPAC name of (2R)-2-[4-[(3-fluoro-4-methylphenyl)methylcarbamoyl]piperidin-1-yl]propanoic acid (CID 124689641) is (2R)-2-[4-[(3-fluoro-4-methylphenyl)methylcarbamoyl]piperidin-1-yl]propanoic acid.
What is the SMILES notation for (2R)-2-[4-[(3-fluoro-4-methylphenyl)methylcarbamoyl]piperidin-1-yl]propanoic acid?
The canonical SMILES for (2R)-2-[4-[(3-fluoro-4-methylphenyl)methylcarbamoyl]piperidin-1-yl]propanoic acid is Cc1ccc(CNC(=O)C2CCN([C@H](C)C(=O)O)CC2)cc1F.
What is the InChIKey of (2R)-2-[4-[(3-fluoro-4-methylphenyl)methylcarbamoyl]piperidin-1-yl]propanoic acid?
The InChIKey is GOUHIKWOSYEMGY-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H23FN2O3/c1-11-3-4-13(9-15(11)18)10-19-16(21)14-5-7-20(8-6-14)12(2)17(22)23/h3-4,9,12,14H,5-8,10H2,1-2H3,(H,19,21)(H,22,23)/t12-/m1/s1.
What are the key properties of (2R)-2-[4-[(3-fluoro-4-methylphenyl)methylcarbamoyl]piperidin-1-yl]propanoic acid?
(2R)-2-[4-[(3-fluoro-4-methylphenyl)methylcarbamoyl]piperidin-1-yl]propanoic acid has a molecular weight of 322.38 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[(3-fluoro-4-methylphenyl)methylcarbamoyl]piperidin-1-yl]propanoic acid is sourced from PubChem (CID 124689641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).