3-(4-fluorophenyl)-4-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]butanoic acid

C26H32FN3O3 — CID 10253390

IUPAC3-(4-fluorophenyl)-4-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]butanoic acid
SMILESO=C(O)CC(CC1CCN(C(=O)CCc2ccc3c(n2)NCCC3)CC1)c1ccc(F)cc1
InChIInChI=1S/C26H32FN3O3/c27-22-6-3-19(4-7-22)21(17-25(32)33)16-18-11-14-30(15-12-18)24(31)10-9-23-8-5-20-2-1-13-28-26(20)29-23/h3-8,18,21H,1-2,9-17H2,(H,28,29)(H,32,33)
InChIKeyQWSHNNPQYXVRBU-UHFFFAOYSA-N
MW453.56 g/mol
LogP4.40
Rot. Bonds8

About 3-(4-fluorophenyl)-4-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]butanoic acid

3-(4-fluorophenyl)-4-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]butanoic acid (PubChem CID 10253390) has the molecular formula C26H32FN3O3 and a molecular weight of 453.56 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]butanoic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]butanoic acid
PubChem CID10253390
Molecular FormulaC26H32FN3O3
Molecular Weight453.56 g/mol
Exact Mass453.24
IUPAC Name3-(4-fluorophenyl)-4-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]butanoic acid
SMILESO=C(O)CC(CC1CCN(C(=O)CCc2ccc3c(n2)NCCC3)CC1)c1ccc(F)cc1
InChIInChI=1S/C26H32FN3O3/c27-22-6-3-19(4-7-22)21(17-25(32)33)16-18-11-14-30(15-12-18)24(31)10-9-23-8-5-20-2-1-13-28-26(20)29-23/h3-8,18,21H,1-2,9-17H2,(H,28,29)(H,32,33)
InChIKeyQWSHNNPQYXVRBU-UHFFFAOYSA-N
XLogP4.40
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]butanoic acid?
The IUPAC name of 3-(4-fluorophenyl)-4-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]butanoic acid (CID 10253390) is 3-(4-fluorophenyl)-4-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]butanoic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-4-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]butanoic acid?
The canonical SMILES for 3-(4-fluorophenyl)-4-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]butanoic acid is O=C(O)CC(CC1CCN(C(=O)CCc2ccc3c(n2)NCCC3)CC1)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-4-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]butanoic acid?
The InChIKey is QWSHNNPQYXVRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN3O3/c27-22-6-3-19(4-7-22)21(17-25(32)33)16-18-11-14-30(15-12-18)24(31)10-9-23-8-5-20-2-1-13-28-26(20)29-23/h3-8,18,21H,1-2,9-17H2,(H,28,29)(H,32,33).
What are the key properties of 3-(4-fluorophenyl)-4-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]butanoic acid?
3-(4-fluorophenyl)-4-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]butanoic acid has a molecular weight of 453.56 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]butanoic acid is sourced from PubChem (CID 10253390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).