2-fluoro-5-(3-piperidin-4-ylpropanoylamino)benzoic acid

C15H19FN2O3 — CID 62210193

IUPAC2-fluoro-5-(3-piperidin-4-ylpropanoylamino)benzoic acid
SMILESO=C(CCC1CCNCC1)Nc1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C15H19FN2O3/c16-13-3-2-11(9-12(13)15(20)21)18-14(19)4-1-10-5-7-17-8-6-10/h2-3,9-10,17H,1,4-8H2,(H,18,19)(H,20,21)
InChIKeyVRNDQOMUTCUEOS-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.24
Rot. Bonds5

About 2-fluoro-5-(3-piperidin-4-ylpropanoylamino)benzoic acid

2-fluoro-5-(3-piperidin-4-ylpropanoylamino)benzoic acid (PubChem CID 62210193) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-fluoro-5-(3-piperidin-4-ylpropanoylamino)benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-(3-piperidin-4-ylpropanoylamino)benzoic acid
PubChem CID62210193
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name2-fluoro-5-(3-piperidin-4-ylpropanoylamino)benzoic acid
SMILESO=C(CCC1CCNCC1)Nc1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C15H19FN2O3/c16-13-3-2-11(9-12(13)15(20)21)18-14(19)4-1-10-5-7-17-8-6-10/h2-3,9-10,17H,1,4-8H2,(H,18,19)(H,20,21)
InChIKeyVRNDQOMUTCUEOS-UHFFFAOYSA-N
XLogP2.24
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-4-fluorophenyl)-3-piperidin-4-ylpropanamide
CID 115870611
N-(3,5-difluorophenyl)-3-piperidin-4-ylpropanamide
CID 62210143
2-fluoro-4-(3-piperidin-3-ylpropanoylamino)benzoic acid
CID 107795108
N-(4-methylsulfanylphenyl)-3-piperidin-4-ylpropanamide
CID 62211363
N-[4-(difluoromethoxy)phenyl]-3-piperidin-4-ylpropanamide
CID 62210859
3-piperidin-4-yl-N-quinoxalin-6-ylpropanamide
CID 62211768
N-[3-(difluoromethoxy)phenyl]-3-piperidin-4-ylpropanamide
CID 62210707
5-(4-aminobutanoylamino)-2-fluorobenzoic acid
CID 43712178
2-bromo-5-(3-cyclohexylpropanoylamino)benzoic acid
CID 115295764
N-(3,5-dimethoxyphenyl)-3-piperidin-4-ylpropanamide
CID 62210135
N-(2,4-dichlorophenyl)-3-piperidin-4-ylpropanamide
CID 62210490
N-(4-chloro-3-cyanophenyl)-3-piperidin-4-ylpropanamide
CID 62210704

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(3-piperidin-4-ylpropanoylamino)benzoic acid?
The IUPAC name of 2-fluoro-5-(3-piperidin-4-ylpropanoylamino)benzoic acid (CID 62210193) is 2-fluoro-5-(3-piperidin-4-ylpropanoylamino)benzoic acid.
What is the SMILES notation for 2-fluoro-5-(3-piperidin-4-ylpropanoylamino)benzoic acid?
The canonical SMILES for 2-fluoro-5-(3-piperidin-4-ylpropanoylamino)benzoic acid is O=C(CCC1CCNCC1)Nc1ccc(F)c(C(=O)O)c1.
What is the InChIKey of 2-fluoro-5-(3-piperidin-4-ylpropanoylamino)benzoic acid?
The InChIKey is VRNDQOMUTCUEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c16-13-3-2-11(9-12(13)15(20)21)18-14(19)4-1-10-5-7-17-8-6-10/h2-3,9-10,17H,1,4-8H2,(H,18,19)(H,20,21).
What are the key properties of 2-fluoro-5-(3-piperidin-4-ylpropanoylamino)benzoic acid?
2-fluoro-5-(3-piperidin-4-ylpropanoylamino)benzoic acid has a molecular weight of 294.33 g/mol, XLogP of 2.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(3-piperidin-4-ylpropanoylamino)benzoic acid is sourced from PubChem (CID 62210193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).