4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzoic acid

C21H23N3O3 — CID 154994854

IUPAC4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzoic acid
SMILESO=C(O)c1ccc(N2CCCc3cc(C(=O)N4CCCCC4)cnc32)cc1
InChIInChI=1S/C21H23N3O3/c25-20(23-10-2-1-3-11-23)17-13-16-5-4-12-24(19(16)22-14-17)18-8-6-15(7-9-18)21(26)27/h6-9,13-14H,1-5,10-12H2,(H,26,27)
InChIKeyPMVJEOUSDIECBQ-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.49
Rot. Bonds3

About 4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzoic acid

4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzoic acid (PubChem CID 154994854) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzoic acid.

Molecular Properties

Compound Name4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzoic acid
PubChem CID154994854
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzoic acid
SMILESO=C(O)c1ccc(N2CCCc3cc(C(=O)N4CCCCC4)cnc32)cc1
InChIInChI=1S/C21H23N3O3/c25-20(23-10-2-1-3-11-23)17-13-16-5-4-12-24(19(16)22-14-17)18-8-6-15(7-9-18)21(26)27/h6-9,13-14H,1-5,10-12H2,(H,26,27)
InChIKeyPMVJEOUSDIECBQ-UHFFFAOYSA-N
XLogP3.49
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzoic acid?
The IUPAC name of 4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzoic acid (CID 154994854) is 4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzoic acid.
What is the SMILES notation for 4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzoic acid?
The canonical SMILES for 4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzoic acid is O=C(O)c1ccc(N2CCCc3cc(C(=O)N4CCCCC4)cnc32)cc1.
What is the InChIKey of 4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzoic acid?
The InChIKey is PMVJEOUSDIECBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c25-20(23-10-2-1-3-11-23)17-13-16-5-4-12-24(19(16)22-14-17)18-8-6-15(7-9-18)21(26)27/h6-9,13-14H,1-5,10-12H2,(H,26,27).
What are the key properties of 4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzoic acid?
4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzoic acid has a molecular weight of 365.43 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzoic acid is sourced from PubChem (CID 154994854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).