4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]butanoic acid

C21H24FN3O3 — CID 67268486

IUPAC4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]butanoic acid
SMILESO=C(O)CCCN1CCC(NC(=O)c2ccc(-c3cccc(F)c3)nc2)CC1
InChIInChI=1S/C21H24FN3O3/c22-17-4-1-3-15(13-17)19-7-6-16(14-23-19)21(28)24-18-8-11-25(12-9-18)10-2-5-20(26)27/h1,3-4,6-7,13-14,18H,2,5,8-12H2,(H,24,28)(H,26,27)
InChIKeySRIPHALZKLYNJD-UHFFFAOYSA-N
MW385.44 g/mol
LogP2.95
Rot. Bonds7

About 4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]butanoic acid

4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]butanoic acid (PubChem CID 67268486) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is 4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]butanoic acid
PubChem CID67268486
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC Name4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]butanoic acid
SMILESO=C(O)CCCN1CCC(NC(=O)c2ccc(-c3cccc(F)c3)nc2)CC1
InChIInChI=1S/C21H24FN3O3/c22-17-4-1-3-15(13-17)19-7-6-16(14-23-19)21(28)24-18-8-11-25(12-9-18)10-2-5-20(26)27/h1,3-4,6-7,13-14,18H,2,5,8-12H2,(H,24,28)(H,26,27)
InChIKeySRIPHALZKLYNJD-UHFFFAOYSA-N
XLogP2.95
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]butanoic acid?
The IUPAC name of 4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]butanoic acid (CID 67268486) is 4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]butanoic acid.
What is the SMILES notation for 4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]butanoic acid?
The canonical SMILES for 4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]butanoic acid is O=C(O)CCCN1CCC(NC(=O)c2ccc(-c3cccc(F)c3)nc2)CC1.
What is the InChIKey of 4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]butanoic acid?
The InChIKey is SRIPHALZKLYNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3/c22-17-4-1-3-15(13-17)19-7-6-16(14-23-19)21(28)24-18-8-11-25(12-9-18)10-2-5-20(26)27/h1,3-4,6-7,13-14,18H,2,5,8-12H2,(H,24,28)(H,26,27).
What are the key properties of 4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]butanoic acid?
4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]butanoic acid has a molecular weight of 385.44 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]butanoic acid is sourced from PubChem (CID 67268486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).