1-(4-cyanopyridazin-3-yl)-4-propylpiperidine-4-carboxylic acid

C14H18N4O2 — CID 80508592

IUPAC1-(4-cyanopyridazin-3-yl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(c2nnccc2C#N)CC1
InChIInChI=1S/C14H18N4O2/c1-2-4-14(13(19)20)5-8-18(9-6-14)12-11(10-15)3-7-16-17-12/h3,7H,2,4-6,8-9H2,1H3,(H,19,20)
InChIKeyFJXZRRDMGKIDSY-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.82
Rot. Bonds4

About 1-(4-cyanopyridazin-3-yl)-4-propylpiperidine-4-carboxylic acid

1-(4-cyanopyridazin-3-yl)-4-propylpiperidine-4-carboxylic acid (PubChem CID 80508592) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(4-cyanopyridazin-3-yl)-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-cyanopyridazin-3-yl)-4-propylpiperidine-4-carboxylic acid
PubChem CID80508592
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1-(4-cyanopyridazin-3-yl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(c2nnccc2C#N)CC1
InChIInChI=1S/C14H18N4O2/c1-2-4-14(13(19)20)5-8-18(9-6-14)12-11(10-15)3-7-16-17-12/h3,7H,2,4-6,8-9H2,1H3,(H,19,20)
InChIKeyFJXZRRDMGKIDSY-UHFFFAOYSA-N
XLogP1.82
TPSA90.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanopyridazin-3-yl)-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(4-cyanopyridazin-3-yl)-4-propylpiperidine-4-carboxylic acid (CID 80508592) is 1-(4-cyanopyridazin-3-yl)-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-cyanopyridazin-3-yl)-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-cyanopyridazin-3-yl)-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(c2nnccc2C#N)CC1.
What is the InChIKey of 1-(4-cyanopyridazin-3-yl)-4-propylpiperidine-4-carboxylic acid?
The InChIKey is FJXZRRDMGKIDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-4-14(13(19)20)5-8-18(9-6-14)12-11(10-15)3-7-16-17-12/h3,7H,2,4-6,8-9H2,1H3,(H,19,20).
What are the key properties of 1-(4-cyanopyridazin-3-yl)-4-propylpiperidine-4-carboxylic acid?
1-(4-cyanopyridazin-3-yl)-4-propylpiperidine-4-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanopyridazin-3-yl)-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 80508592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).