3-[1-(3-fluoro-5-methylbenzoyl)piperidin-2-yl]propanoic acid

C16H20FNO3 — CID 115924049

IUPAC3-[1-(3-fluoro-5-methylbenzoyl)piperidin-2-yl]propanoic acid
SMILESCc1cc(F)cc(C(=O)N2CCCCC2CCC(=O)O)c1
InChIInChI=1S/C16H20FNO3/c1-11-8-12(10-13(17)9-11)16(21)18-7-3-2-4-14(18)5-6-15(19)20/h8-10,14H,2-7H2,1H3,(H,19,20)
InChIKeyDGZNETBRNYCTMP-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.99
Rot. Bonds4

About 3-[1-(3-fluoro-5-methylbenzoyl)piperidin-2-yl]propanoic acid

3-[1-(3-fluoro-5-methylbenzoyl)piperidin-2-yl]propanoic acid (PubChem CID 115924049) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is 3-[1-(3-fluoro-5-methylbenzoyl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(3-fluoro-5-methylbenzoyl)piperidin-2-yl]propanoic acid
PubChem CID115924049
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name3-[1-(3-fluoro-5-methylbenzoyl)piperidin-2-yl]propanoic acid
SMILESCc1cc(F)cc(C(=O)N2CCCCC2CCC(=O)O)c1
InChIInChI=1S/C16H20FNO3/c1-11-8-12(10-13(17)9-11)16(21)18-7-3-2-4-14(18)5-6-15(19)20/h8-10,14H,2-7H2,1H3,(H,19,20)
InChIKeyDGZNETBRNYCTMP-UHFFFAOYSA-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-(5-fluoropyridine-3-carbonyl)piperidin-2-yl]propanoic acid
CID 104785546
3-[(2R)-1-(4-fluoro-3-methylbenzoyl)piperidin-2-yl]propanoic acid
CID 129369081
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(3-fluoro-5-methylphenyl)methanone
CID 124576168
3-[1-(3,4-dimethylbenzoyl)piperidin-2-yl]propanoic acid
CID 62216098
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
2-[1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]acetic acid
CID 61370453
3-[1-(2-chloro-5-fluoro-4-methylbenzoyl)piperidin-2-yl]propanoic acid
CID 117044948
3-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-5-methylbenzamide
CID 90757369
3-[1-(5-chloro-2-fluorobenzoyl)piperidin-2-yl]propanoic acid
CID 62217106
3-[(2R)-1-(7-fluoro-2-methylquinoline-3-carbonyl)piperidin-2-yl]propanoic acid
CID 124697534

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-fluoro-5-methylbenzoyl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-(3-fluoro-5-methylbenzoyl)piperidin-2-yl]propanoic acid (CID 115924049) is 3-[1-(3-fluoro-5-methylbenzoyl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(3-fluoro-5-methylbenzoyl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(3-fluoro-5-methylbenzoyl)piperidin-2-yl]propanoic acid is Cc1cc(F)cc(C(=O)N2CCCCC2CCC(=O)O)c1.
What is the InChIKey of 3-[1-(3-fluoro-5-methylbenzoyl)piperidin-2-yl]propanoic acid?
The InChIKey is DGZNETBRNYCTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-11-8-12(10-13(17)9-11)16(21)18-7-3-2-4-14(18)5-6-15(19)20/h8-10,14H,2-7H2,1H3,(H,19,20).
What are the key properties of 3-[1-(3-fluoro-5-methylbenzoyl)piperidin-2-yl]propanoic acid?
3-[1-(3-fluoro-5-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-[1-(3-fluoro-5-methylbenzoyl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 115924049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).