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

C20H18ClN3O2 — CID 10451631

IUPAC1-[8-(3-chlorophenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2cc3cccnc3c(-c3cccc(Cl)c3)n2)CC1
InChIInChI=1S/C20H18ClN3O2/c21-16-5-1-3-14(11-16)19-18-15(4-2-8-22-18)12-17(23-19)24-9-6-13(7-10-24)20(25)26/h1-5,8,11-13H,6-7,9-10H2,(H,25,26)
InChIKeyRXBMPEMJBXRGAW-UHFFFAOYSA-N
MW367.84 g/mol
LogP4.25
Rot. Bonds3

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

1-[8-(3-chlorophenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid (PubChem CID 10451631) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 1-[8-(3-chlorophenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[8-(3-chlorophenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid
PubChem CID10451631
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name1-[8-(3-chlorophenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2cc3cccnc3c(-c3cccc(Cl)c3)n2)CC1
InChIInChI=1S/C20H18ClN3O2/c21-16-5-1-3-14(11-16)19-18-15(4-2-8-22-18)12-17(23-19)24-9-6-13(7-10-24)20(25)26/h1-5,8,11-13H,6-7,9-10H2,(H,25,26)
InChIKeyRXBMPEMJBXRGAW-UHFFFAOYSA-N
XLogP4.25
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[8-(3-chlorophenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[8-(3-chlorophenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid (CID 10451631) is 1-[8-(3-chlorophenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[8-(3-chlorophenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[8-(3-chlorophenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid is O=C(O)C1CCN(c2cc3cccnc3c(-c3cccc(Cl)c3)n2)CC1.
What is the InChIKey of 1-[8-(3-chlorophenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid?
The InChIKey is RXBMPEMJBXRGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c21-16-5-1-3-14(11-16)19-18-15(4-2-8-22-18)12-17(23-19)24-9-6-13(7-10-24)20(25)26/h1-5,8,11-13H,6-7,9-10H2,(H,25,26).
What are the key properties of 1-[8-(3-chlorophenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid?
1-[8-(3-chlorophenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid has a molecular weight of 367.84 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(3-chlorophenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 10451631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).