4-(6-cyanoquinolin-4-yl)piperidine-1-carboxylic acid

C16H15N3O2 — CID 138687738

IUPAC4-(6-cyanoquinolin-4-yl)piperidine-1-carboxylic acid
SMILESN#Cc1ccc2nccc(C3CCN(C(=O)O)CC3)c2c1
InChIInChI=1S/C16H15N3O2/c17-10-11-1-2-15-14(9-11)13(3-6-18-15)12-4-7-19(8-5-12)16(20)21/h1-3,6,9,12H,4-5,7-8H2,(H,20,21)
InChIKeyVIFWGPQISHVJSR-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.96
Rot. Bonds1

About 4-(6-cyanoquinolin-4-yl)piperidine-1-carboxylic acid

4-(6-cyanoquinolin-4-yl)piperidine-1-carboxylic acid (PubChem CID 138687738) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-(6-cyanoquinolin-4-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(6-cyanoquinolin-4-yl)piperidine-1-carboxylic acid
PubChem CID138687738
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name4-(6-cyanoquinolin-4-yl)piperidine-1-carboxylic acid
SMILESN#Cc1ccc2nccc(C3CCN(C(=O)O)CC3)c2c1
InChIInChI=1S/C16H15N3O2/c17-10-11-1-2-15-14(9-11)13(3-6-18-15)12-4-7-19(8-5-12)16(20)21/h1-3,6,9,12H,4-5,7-8H2,(H,20,21)
InChIKeyVIFWGPQISHVJSR-UHFFFAOYSA-N
XLogP2.96
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6-cyanoquinolin-4-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(6-cyanoquinolin-4-yl)piperidine-1-carboxylic acid (CID 138687738) is 4-(6-cyanoquinolin-4-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(6-cyanoquinolin-4-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(6-cyanoquinolin-4-yl)piperidine-1-carboxylic acid is N#Cc1ccc2nccc(C3CCN(C(=O)O)CC3)c2c1.
What is the InChIKey of 4-(6-cyanoquinolin-4-yl)piperidine-1-carboxylic acid?
The InChIKey is VIFWGPQISHVJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c17-10-11-1-2-15-14(9-11)13(3-6-18-15)12-4-7-19(8-5-12)16(20)21/h1-3,6,9,12H,4-5,7-8H2,(H,20,21).
What are the key properties of 4-(6-cyanoquinolin-4-yl)piperidine-1-carboxylic acid?
4-(6-cyanoquinolin-4-yl)piperidine-1-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-cyanoquinolin-4-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 138687738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).