1-(7-fluoro-1,5-naphthyridin-4-yl)-5-methylpiperidine-3-carboxylic acid

C15H16FN3O2 — CID 122106512

IUPAC1-(7-fluoro-1,5-naphthyridin-4-yl)-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(c2ccnc3cc(F)cnc23)C1
InChIInChI=1S/C15H16FN3O2/c1-9-4-10(15(20)21)8-19(7-9)13-2-3-17-12-5-11(16)6-18-14(12)13/h2-3,5-6,9-10H,4,7-8H2,1H3,(H,20,21)
InChIKeyPQSRHWOLOBLRCB-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.32
Rot. Bonds2

About 1-(7-fluoro-1,5-naphthyridin-4-yl)-5-methylpiperidine-3-carboxylic acid

1-(7-fluoro-1,5-naphthyridin-4-yl)-5-methylpiperidine-3-carboxylic acid (PubChem CID 122106512) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 1-(7-fluoro-1,5-naphthyridin-4-yl)-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(7-fluoro-1,5-naphthyridin-4-yl)-5-methylpiperidine-3-carboxylic acid
PubChem CID122106512
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name1-(7-fluoro-1,5-naphthyridin-4-yl)-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(c2ccnc3cc(F)cnc23)C1
InChIInChI=1S/C15H16FN3O2/c1-9-4-10(15(20)21)8-19(7-9)13-2-3-17-12-5-11(16)6-18-14(12)13/h2-3,5-6,9-10H,4,7-8H2,1H3,(H,20,21)
InChIKeyPQSRHWOLOBLRCB-UHFFFAOYSA-N
XLogP2.32
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-1,5-naphthyridin-4-yl)-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(7-fluoro-1,5-naphthyridin-4-yl)-5-methylpiperidine-3-carboxylic acid (CID 122106512) is 1-(7-fluoro-1,5-naphthyridin-4-yl)-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(7-fluoro-1,5-naphthyridin-4-yl)-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(7-fluoro-1,5-naphthyridin-4-yl)-5-methylpiperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(c2ccnc3cc(F)cnc23)C1.
What is the InChIKey of 1-(7-fluoro-1,5-naphthyridin-4-yl)-5-methylpiperidine-3-carboxylic acid?
The InChIKey is PQSRHWOLOBLRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-9-4-10(15(20)21)8-19(7-9)13-2-3-17-12-5-11(16)6-18-14(12)13/h2-3,5-6,9-10H,4,7-8H2,1H3,(H,20,21).
What are the key properties of 1-(7-fluoro-1,5-naphthyridin-4-yl)-5-methylpiperidine-3-carboxylic acid?
1-(7-fluoro-1,5-naphthyridin-4-yl)-5-methylpiperidine-3-carboxylic acid has a molecular weight of 289.31 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-1,5-naphthyridin-4-yl)-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122106512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).