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

C15H19FN2O3 — CID 107795108

IUPAC2-fluoro-4-(3-piperidin-3-ylpropanoylamino)benzoic acid
SMILESO=C(CCC1CCCNC1)Nc1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C15H19FN2O3/c16-13-8-11(4-5-12(13)15(20)21)18-14(19)6-3-10-2-1-7-17-9-10/h4-5,8,10,17H,1-3,6-7,9H2,(H,18,19)(H,20,21)
InChIKeyFJNBCJOXXWNRPP-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.24
Rot. Bonds5

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

2-fluoro-4-(3-piperidin-3-ylpropanoylamino)benzoic acid (PubChem CID 107795108) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-fluoro-4-(3-piperidin-3-ylpropanoylamino)benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-(3-piperidin-3-ylpropanoylamino)benzoic acid
PubChem CID107795108
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name2-fluoro-4-(3-piperidin-3-ylpropanoylamino)benzoic acid
SMILESO=C(CCC1CCCNC1)Nc1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C15H19FN2O3/c16-13-8-11(4-5-12(13)15(20)21)18-14(19)6-3-10-2-1-7-17-9-10/h4-5,8,10,17H,1-3,6-7,9H2,(H,18,19)(H,20,21)
InChIKeyFJNBCJOXXWNRPP-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

2-fluoro-4-[[(3S)-piperidine-3-carbonyl]amino]benzoic acid
CID 107795041
5-iodo-2-(3-piperidin-3-ylpropanoylamino)benzoic acid
CID 63111622
2-fluoro-5-(3-piperidin-4-ylpropanoylamino)benzoic acid
CID 62210193
N-(3,4-dicyanophenyl)-3-piperidin-3-ylpropanamide
CID 107790601
N-(2-methyl-4-pyridinyl)-3-piperidin-3-ylpropanamide
CID 79241024
2,4-difluoro-5-[(2-piperidin-3-ylacetyl)amino]benzoic acid
CID 62675414
2-bromo-5-(3-cyclohexylpropanoylamino)benzoic acid
CID 115295764
4-fluoro-2-[(2-piperidin-3-ylacetyl)amino]benzoic acid
CID 62675630
2-fluoro-4-[[2-(thian-4-yl)acetyl]amino]benzoic acid
CID 103925741
2-fluoro-4-[3-(methylamino)propanoylamino]benzoic acid
CID 114002257
N-(3-bromo-4-fluorophenyl)-3-piperidin-4-ylpropanamide
CID 115870611
3-[4-[(2-piperidin-3-ylacetyl)amino]phenyl]propanoic acid
CID 115340003

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(3-piperidin-3-ylpropanoylamino)benzoic acid?
The IUPAC name of 2-fluoro-4-(3-piperidin-3-ylpropanoylamino)benzoic acid (CID 107795108) is 2-fluoro-4-(3-piperidin-3-ylpropanoylamino)benzoic acid.
What is the SMILES notation for 2-fluoro-4-(3-piperidin-3-ylpropanoylamino)benzoic acid?
The canonical SMILES for 2-fluoro-4-(3-piperidin-3-ylpropanoylamino)benzoic acid is O=C(CCC1CCCNC1)Nc1ccc(C(=O)O)c(F)c1.
What is the InChIKey of 2-fluoro-4-(3-piperidin-3-ylpropanoylamino)benzoic acid?
The InChIKey is FJNBCJOXXWNRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c16-13-8-11(4-5-12(13)15(20)21)18-14(19)6-3-10-2-1-7-17-9-10/h4-5,8,10,17H,1-3,6-7,9H2,(H,18,19)(H,20,21).
What are the key properties of 2-fluoro-4-(3-piperidin-3-ylpropanoylamino)benzoic acid?
2-fluoro-4-(3-piperidin-3-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-4-(3-piperidin-3-ylpropanoylamino)benzoic acid is sourced from PubChem (CID 107795108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).