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

C16H20FNO3 — CID 129369081

IUPAC3-[(2R)-1-(4-fluoro-3-methylbenzoyl)piperidin-2-yl]propanoic acid
SMILESCc1cc(C(=O)N2CCCC[C@@H]2CCC(=O)O)ccc1F
InChIInChI=1S/C16H20FNO3/c1-11-10-12(5-7-14(11)17)16(21)18-9-3-2-4-13(18)6-8-15(19)20/h5,7,10,13H,2-4,6,8-9H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyXVQAKLDDBCRWFA-CYBMUJFWSA-N
MW293.34 g/mol
LogP2.99
Rot. Bonds4

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

3-[(2R)-1-(4-fluoro-3-methylbenzoyl)piperidin-2-yl]propanoic acid (PubChem CID 129369081) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is 3-[(2R)-1-(4-fluoro-3-methylbenzoyl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2R)-1-(4-fluoro-3-methylbenzoyl)piperidin-2-yl]propanoic acid
PubChem CID129369081
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name3-[(2R)-1-(4-fluoro-3-methylbenzoyl)piperidin-2-yl]propanoic acid
SMILESCc1cc(C(=O)N2CCCC[C@@H]2CCC(=O)O)ccc1F
InChIInChI=1S/C16H20FNO3/c1-11-10-12(5-7-14(11)17)16(21)18-9-3-2-4-13(18)6-8-15(19)20/h5,7,10,13H,2-4,6,8-9H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyXVQAKLDDBCRWFA-CYBMUJFWSA-N
XLogP2.99
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(3,4-dimethylbenzoyl)piperidin-2-yl]propanoic acid
CID 62216098
[2-(2-chloroethyl)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone
CID 63393830
3-[1-(3-bromo-4-methylbenzoyl)piperidin-2-yl]propanoic acid
CID 81458499
3-[(2S)-1-(3-fluoro-4-methoxybenzoyl)piperidin-2-yl]propanoic acid
CID 124688675
3-[(2R)-1-(3-fluoro-4-methoxybenzoyl)piperidin-2-yl]propanoic acid
CID 124688643
3-[1-(3-fluoro-5-methylbenzoyl)piperidin-2-yl]propanoic acid
CID 115924049
(4-fluoro-3-methylphenyl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 79539952
3-[1-(2-chloro-5-fluoro-4-methylbenzoyl)piperidin-2-yl]propanoic acid
CID 117044948
3-[1-(5-chloro-2-fluorobenzoyl)piperidin-2-yl]propanoic acid
CID 62217106
3-[(3R)-1-(4-fluoro-3-methylbenzoyl)piperidin-3-yl]propanoic acid
CID 95031817
3-[1-(3-bromo-4-chlorobenzoyl)piperidin-2-yl]propanoic acid
CID 107997829
3-[1-(5-fluoropyridine-3-carbonyl)piperidin-2-yl]propanoic acid
CID 104785546

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-(4-fluoro-3-methylbenzoyl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[(2R)-1-(4-fluoro-3-methylbenzoyl)piperidin-2-yl]propanoic acid (CID 129369081) is 3-[(2R)-1-(4-fluoro-3-methylbenzoyl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[(2R)-1-(4-fluoro-3-methylbenzoyl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[(2R)-1-(4-fluoro-3-methylbenzoyl)piperidin-2-yl]propanoic acid is Cc1cc(C(=O)N2CCCC[C@@H]2CCC(=O)O)ccc1F.
What is the InChIKey of 3-[(2R)-1-(4-fluoro-3-methylbenzoyl)piperidin-2-yl]propanoic acid?
The InChIKey is XVQAKLDDBCRWFA-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-11-10-12(5-7-14(11)17)16(21)18-9-3-2-4-13(18)6-8-15(19)20/h5,7,10,13H,2-4,6,8-9H2,1H3,(H,19,20)/t13-/m1/s1.
What are the key properties of 3-[(2R)-1-(4-fluoro-3-methylbenzoyl)piperidin-2-yl]propanoic acid?
3-[(2R)-1-(4-fluoro-3-methylbenzoyl)piperidin-2-yl]propanoic acid has a molecular weight of 293.34 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-(4-fluoro-3-methylbenzoyl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 129369081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).