1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetyl]piperidine-4-carbonitrile

C15H18N4O2 — CID 122246427

IUPAC1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetyl]piperidine-4-carbonitrile
SMILESN#CC1CCN(C(=O)Cn2nc(C3CC3)ccc2=O)CC1
InChIInChI=1S/C15H18N4O2/c16-9-11-5-7-18(8-6-11)15(21)10-19-14(20)4-3-13(17-19)12-1-2-12/h3-4,11-12H,1-2,5-8,10H2
InChIKeyLPQNEYMDQUYYMJ-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.88
Rot. Bonds3

About 1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetyl]piperidine-4-carbonitrile

1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetyl]piperidine-4-carbonitrile (PubChem CID 122246427) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetyl]piperidine-4-carbonitrile
PubChem CID122246427
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetyl]piperidine-4-carbonitrile
SMILESN#CC1CCN(C(=O)Cn2nc(C3CC3)ccc2=O)CC1
InChIInChI=1S/C15H18N4O2/c16-9-11-5-7-18(8-6-11)15(21)10-19-14(20)4-3-13(17-19)12-1-2-12/h3-4,11-12H,1-2,5-8,10H2
InChIKeyLPQNEYMDQUYYMJ-UHFFFAOYSA-N
XLogP0.88
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetyl]piperidine-4-carbonitrile?
The IUPAC name of 1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetyl]piperidine-4-carbonitrile (CID 122246427) is 1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetyl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetyl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetyl]piperidine-4-carbonitrile is N#CC1CCN(C(=O)Cn2nc(C3CC3)ccc2=O)CC1.
What is the InChIKey of 1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetyl]piperidine-4-carbonitrile?
The InChIKey is LPQNEYMDQUYYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c16-9-11-5-7-18(8-6-11)15(21)10-19-14(20)4-3-13(17-19)12-1-2-12/h3-4,11-12H,1-2,5-8,10H2.
What are the key properties of 1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetyl]piperidine-4-carbonitrile?
1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetyl]piperidine-4-carbonitrile has a molecular weight of 286.33 g/mol, XLogP of 0.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetyl]piperidine-4-carbonitrile is sourced from PubChem (CID 122246427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).