1-[8-(3-methoxyphenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid

C21H21N3O3 — CID 10090103

IUPAC1-[8-(3-methoxyphenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid
SMILESCOc1cccc(-c2nc(N3CCC(C(=O)O)CC3)cc3cccnc23)c1
InChIInChI=1S/C21H21N3O3/c1-27-17-6-2-4-15(12-17)20-19-16(5-3-9-22-19)13-18(23-20)24-10-7-14(8-11-24)21(25)26/h2-6,9,12-14H,7-8,10-11H2,1H3,(H,25,26)
InChIKeyLBZYVKXXXHZJAJ-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.61
Rot. Bonds4

About 1-[8-(3-methoxyphenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid

1-[8-(3-methoxyphenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid (PubChem CID 10090103) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-[8-(3-methoxyphenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[8-(3-methoxyphenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid
PubChem CID10090103
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name1-[8-(3-methoxyphenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid
SMILESCOc1cccc(-c2nc(N3CCC(C(=O)O)CC3)cc3cccnc23)c1
InChIInChI=1S/C21H21N3O3/c1-27-17-6-2-4-15(12-17)20-19-16(5-3-9-22-19)13-18(23-20)24-10-7-14(8-11-24)21(25)26/h2-6,9,12-14H,7-8,10-11H2,1H3,(H,25,26)
InChIKeyLBZYVKXXXHZJAJ-UHFFFAOYSA-N
XLogP3.61
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[8-(3-methoxyphenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[8-(3-methoxyphenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid (CID 10090103) is 1-[8-(3-methoxyphenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[8-(3-methoxyphenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[8-(3-methoxyphenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid is COc1cccc(-c2nc(N3CCC(C(=O)O)CC3)cc3cccnc23)c1.
What is the InChIKey of 1-[8-(3-methoxyphenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid?
The InChIKey is LBZYVKXXXHZJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-27-17-6-2-4-15(12-17)20-19-16(5-3-9-22-19)13-18(23-20)24-10-7-14(8-11-24)21(25)26/h2-6,9,12-14H,7-8,10-11H2,1H3,(H,25,26).
What are the key properties of 1-[8-(3-methoxyphenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid?
1-[8-(3-methoxyphenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid has a molecular weight of 363.42 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(3-methoxyphenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 10090103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).